SCHEMBL7094614

SCHEMBL7094614

C1=C(c2ccccc2)Cc2c1ccc1ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2A6 P11509 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 2/20 0.37
GLA P06280 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
HPRT1 P00492 1/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ANPEP P15144 1/20 0.34

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
SCHEMBL7094272 0.83 ABCG2 (0.40) ALDH1A1CYP2A6TDP1KDM4ECYP1A2
SCHEMBL29748869 0.82 ALDH1A1 (0.38) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL6924821 0.80 HTR7 (0.39) HSD17B10ALDH1A1TSHRTDP1KDM4E
SCHEMBL29749091 0.76 ALDH1A1 (0.39) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL3056466 0.74 ALDH1A1 (0.41) HSD17B10ALDH1A1CYP2A6TSHRTDP1
Lithium SCHEMBL29650601 0.73 CYP2A6 (0.39) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL5657362 0.72 WDR5 (0.43) HSD17B10ALDH1A1TSHRTDP1KDM4E
SCHEMBL28348030 0.71 ALDH1A1 (0.38) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL6926322 0.70 PRCP (0.42) HSD17B10ALDH1A1CYP2A6HPGDANPEP
SCHEMBL1673285 0.69 KDM4E (0.33) HSD17B10KDM4ECYP1A2GLACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0910560-B1 PROCESS FOR PREPARING 2-ARYL-SUBSTITUTED INDENES BASELL POLYOLEFINE GMBH (DE) 2003-09-17 EP disclosed
US-6271411-B1 REACTING AN INDENE WITH AN ARENE COMPOUND SUBSTITUTED WITH AN HALOGEN ATOM, PREFERABLY A IODINE ATOM, OR WITH AN ORGANOSULPHONATE GROUP, IN A BASIC MEDIUM IN THE PRESENCE OF A PALLADIUM CATALYST. MONTELL TECHNOLOGY COMPANY BV (NL) 2001-08-07 US disclosed
CN-1228072-A Process for preparing 2-aryl-substituted indenes MONTELL TECHNOLOGY COMPANY BV (NL) 1999-09-08 CN disclosed
EP-0910560-A1 PROCESS FOR PREPARING 2-ARYL-SUBSTITUTED INDENES Montell Technology Company bv (NL) 1999-04-28 EP disclosed
WO-1998046547-A1 PROCESS FOR PREPARING 2-ARYL-SUBSTITUTED INDENES MONTELL TECHNOLOGY COMPANY B.V. (NL) 1998-10-22 WO disclosed