SCHEMBL1685254

SCHEMBL1685254

CC(C)(C)c1cccc(C(C)(C)C)c1C([NH])=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.50
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
GLRA3 O75311 1/20 0.38
GLRB P48167 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ALOX12 P18054 1/20 0.36
ATM Q13315 1/20 0.36
RBP4 P02753 1/20 0.35
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
KIF11 P52732 1/20 0.33
THRB P10828 1/20 0.33
RXRA P19793 1/20 0.33

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
SCHEMBL1685298 0.83 CYP3A4 (0.40) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL1685282 0.82 CA2 (0.38) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL7854316 0.79 GLRA3 (0.54) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL2027240 0.79 CA2 (0.52) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL1274695 0.77 CA2 (0.50) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL28427672 0.76 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL1965666 0.76 ALDH1A1 (0.46) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL28338455 0.74 CA2 (0.52) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL8713885 0.74 ALDH1A1 (0.52) CA2ALDH1A1TDP1TSHRNPSR1
SCHEMBL13278174 0.74 CA2 (0.57) CA2GABRA1GABRB2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6262197-B1 AS POLYMERIZATION CATALYST IN OLEFIN POLYMERIZATION TARGOR GMBH (DE) 2001-07-17 US claimed
US-5808122-A Organometallic compound HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-15 US claimed
US-5726333-A POLYMERIZATION CATALYSTS HOECHST AG (DE) 1998-03-10 US claimed
US-9314673-B2 Golf ball composition and golf ball BRIDGESTONE SPORTS CO., LTD (JP) 2016-04-19 US disclosed
US-9254420-B2 Golf ball composition and golf ball BRIDGESTONE SPORTS CO., LTD. (JP) 2016-02-09 US disclosed
US-9242146-B2 Golf ball composition and golf ball BRIDGESTONE SPORTS CO., LTD. (JP) 2016-01-26 US disclosed
US-9242144-B2 Golf ball composition and golf ball BRIDGESTONE SPORTS CO., LTD. (JP) 2016-01-26 US disclosed
US-9242145-B2 Golf ball composition and golf ball BRIDGESTONE SPORTS CO., LTD. (JP) 2016-01-26 US disclosed
US-20130150183-A1 GOLF BALL COMPOSITION AND GOLF BALL BRIDGESTONE CORPORATION (JP) 2013-06-13 US disclosed
US-20130150184-A1 GOLF BALL COMPOSITION AND GOLF BALL BRIDGESTONE CORPORATION (JP) 2013-06-13 US disclosed
US-20130150185-A1 GOLF BALL COMPOSITION AND GOLF BALL BRIDGESTONE CORPORATION (JP) 2013-06-13 US disclosed
US-5776851-A COORDINATION POLYMERIZATION CATALYST TARGOR GMBH (DE) 1998-07-07 US disclosed
US-5726333-A POLYMERIZATION CATALYSTS HOECHST AG (DE) 1998-03-10 US disclosed
US-5693730-A METALLOCENES HAVING MORE THAN ONE CENTRAL ATOM AND A SPECIAL BRIDGE STRUCTURE FOR PREPARING ISOTACTIC, HIGH-MOLECULAR-WEIGHT POLYMERS HAVING GOOD GRAIN MORPHOLOGY; PROPYLENE HOMO- AND COPOLYMERS HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-02 US disclosed
US-5585508-A POLYMERIZATION CATALYST FOR POLYOLEFINS HOECHST AG (DE) 1996-12-17 US disclosed
EP-0742225-A1 Organometallic compound HOECHST AKTIENGESELLSCHAFT (DE) 1996-11-13 EP disclosed
EP-0742046-A2 Organometallic compounds HOECHST AKTIENGESELLSCHAFT (DE) 1996-11-13 EP disclosed
EP-0739897-A1 Polynuclear metallocene compound, process for preparing it and its use as catalyst HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-30 EP disclosed
EP-0694557-A2 Organo metallic compounds HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-31 EP disclosed
EP-0654476-A1 Metallocenes, their preparation and use as catalysts HOECHST AKTIENGESELLSCHAFT (DE) 1995-05-24 EP disclosed