SCHEMBL9682126

SCHEMBL9682126

CCc1cc(Cc2cc(C(C)CC)c(N)c(C(C)CC)c2)cc(C(C)CC)c1N

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.36
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
DHFR P00374 3/20 0.33
TSHR P16473 1/20 0.32
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
RORC P51449 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
SCHEMBL3471927 0.98 POLB (0.34) ARPOLBHTTDHFRTSHR
SCHEMBL9681459 0.97 POLB (0.37) ARPOLBHTTDHFRTSHR
SCHEMBL10661127 0.97 POLB (0.37) ARPOLBHTTDHFRTSHR
SCHEMBL11159444 0.89 HTT (0.35) ARPOLBHTTTSHRUSP2
SCHEMBL342170 0.89 TSHR (0.38) ARDHFRTSHRUSP2ALDH1A1
SCHEMBL14640854 0.86 DHFR (0.38) POLBHTTDHFR
SCHEMBL433294 0.84 DHFR (0.39) POLBHTTDHFR
SCHEMBL24622936 0.82 POLB (0.39) POLBHTTDHFR
SCHEMBL292418 0.82 POLB (0.39) POLBHTTDHFR
Ammonia Solution, Strong SCHEMBL11024542 0.81 POLB (0.38) POLBHTTDHFR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5153235-A Production of elastic, compact or cellular moldings based on elastomers containing N-benzylurea groups in bound form, elastomers of this type, and N-benzylpolyoxyalkylene-polyamines which are suitable for this purpose BASF AKTIENGESELLSCHAFT (DE) 1992-10-06 US disclosed
US-5122547-A PRODUCTION OF ELASTIC, COMPACT OR CELLULAR MOLDINGS BASED ON ELASTOMERS CONTAINING N-BENZYLUREA GROUPS IN BOUND FORM, ELASTOMERS OF THIS TYPE, AND N-BENZYLPOLYOXYALKYLENE-POLYAMINES WHICH ARE SUITABLE FOR THIS PURPOSE BASF AKTIENGESELLSCHAFT (DE) 1992-06-16 US disclosed
US-5051310-A Textured polyurethane molded articles having multiple sheet layers BASF AKTIENGESELLSCHAFT (DE) 1991-09-24 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
US-4581432-A POLYURETHANE, POLYURETH, POLYISOCYANURATE MOLDING MATERIALS, DEACTIVATION BASF AKTIENGESELLSCHAFT (DE) 1986-04-08 US disclosed