SCHEMBL2938448

SCHEMBL2938448

CCCC(C)c1c(N)c(C)cc(C)c1N

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.33
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3399473 0.77 CYP3A4 (0.37) CYP3A4TSHRALDH1A1TP53TDP1
SCHEMBL10534780 0.72 TSHR (0.46) CYP3A4TSHRALDH1A1TP53TDP1
SCHEMBL342438 0.72 TSHR (0.34) CYP3A4TSHRALDH1A1TP53TDP1
SCHEMBL20991797 0.72 KDM4E (0.40) TSHRALDH1A1TDP1GAAPOLB
SCHEMBL27908485 0.71
SCHEMBL3400159 0.70
SCHEMBL9689922 0.68 OPRM1 (0.36)
SCHEMBL19118683 0.68 HTT (0.38) CYP3A4TSHRALDH1A1TP53TDP1
SCHEMBL19118684 0.68 SKP2 (0.35) NOS2
SCHEMBL12986536 0.67 CYP3A4 (0.40) CYP3A4TSHRALDH1A1TP53TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2158243-B1 METHOD FOR PRODUCTION OF ORGANIC XEROGELS BASF SE (DE) 2010-09-22 EP disclosed
EP-2158243-A1 METHOD FOR PRODUCTION OF ORGANIC XEROGELS BASF SE (DE) 2010-03-03 EP disclosed
WO-2008138977-A1 METHOD FOR PRODUCTION OF ORGANIC XEROGELS BASF SE (DE) 2008-11-20 WO disclosed
US-6169124-B1 USE OF DIESTERS AND/OR MONOESTERS OF ALKYLSUCCINIC AND/OR ALKENYLSUCCINIC ACIDS, BASF AKTIENGESELLSCHAFT (DE) 2001-01-02 US disclosed
US-5798533-A CONTAINING A TERTIARY AMINE BLOW CATALYST, A TERTIARY AMINE DELAYED ACTION GEL CATALYST AND WATER AS THE SOLE BLOWING AGENT BASF CORPORATION (US) 1998-08-25 US disclosed
US-5770635-A Polyol composition having good flow and formic acid blown rigid polyurethane foams made thereby having good dimensional stability BASF CORPORATION (US) 1998-06-23 US disclosed
US-5686500-A MIXTURE OF POLYOXYALKYLENE POLYOLS, DELAYED ACTION GELATION CATALYST BASF CORPORATION (US) 1997-11-11 US disclosed
US-5672632-A POLYURETHANE AND/OR POLYETHERURETHANE COPOLYMER WATER-BLOWN FOAMS HAVING CONTROLLED TENSILE STRENGTH AND WEAR RESISTANCE, FOR SHOE SOLES BASF CORPORATION (US) 1997-09-30 US disclosed
US-5658959-A TENSILE STRENGTH; SHOE SOLES BASF CORPORATION (US) 1997-08-19 US disclosed
EP-0771829-A1 Process of making an integral skin polyurethane article BASF CORPORATION (US) 1997-05-07 EP disclosed
US-5084487-A Polyetherpolyimine copolymers for reaction injection molding BASF AKTIENGESELLSCHAFT (DE) 1992-01-28 US disclosed
US-5051310-A Textured polyurethane molded articles having multiple sheet layers BASF AKTIENGESELLSCHAFT (DE) 1991-09-24 US disclosed
US-4972002-A Process for producing cellular plastics by the polyisocyanate polyaddition method by means of stable emulsions containing blowing agents, and such emulsions BASF AKTIENGESELLSCHAFT (DE) 1990-11-20 US disclosed
US-4798851-A POLYESTERPOLYOL BASF AKTIENGESELLSCHAFT (DE) 1989-01-17 US disclosed
US-4789691-A REACTING POLYISOCYANATE, POLYAZOMETHINE, AND AROMATIC POLYAMINES BASF AKTIENGESELLSCHAFT (DE) 1988-12-06 US disclosed
US-4778830-A POLY(UREA)URETHANE ELASTOMER BASF AKTIENGESELLSCHAFT (DE) 1988-10-18 US disclosed
US-4698371-A REACTION INJECTION MOLDING BASF AKTIENGESELLSCHAFT (DE) 1987-10-06 US disclosed
US-4636531-A REACTION INJECTION MOLDING, CHAIN EXTENSION, STERIC HINDRANCE, PRIMARY AROMATIC DIAMINE BASF AKTIENGESELLSCHAFT (DE) 1987-01-13 US disclosed
US-4595705-A Using as polyol 95 to 60 percent conventional polyol and 5 to 40 percent aromatic polyester polyol BASF AKTIENGESELLSCHAFT (DE) 1986-06-17 US disclosed
US-4581387-A REACTION PRODUCT OF MONTANIC ACID AND TEN OR MORE CARBON ATOMS CARBOXYLIC ACID AND POLYOL, ALKANOLAMINE, OR POLYAMINE BASF AKTIENGESELLSCHAFT (DE) 1986-04-08 US disclosed