SCHEMBL5599461

SCHEMBL5599461

Cc1cc2ccccc2c(C2=Cc3ccccc3[CH]2)c1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.38
▸ CYP2A6 P11509 3/20 0.38
▸ TSHR P16473 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ACHE P22303 1/20 0.32
▸ GPR84 Q9NQS5 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ CCR1 P32246 1/20 0.30
▸ CCR8 P51685 1/20 0.30
▸ ALOX5 P09917 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
SCHEMBL6695070 0.80 TSHR (0.46) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL31001028 0.78 CYP1A2 (0.52) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL2971767 0.74 CYP1A2 (0.38) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL5599457 0.72 CYP1A2 (0.47) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL14677000 0.72 CYP1A2 (0.45) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL29654725 0.72 CYP1A2 (0.45) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL4269724 0.72 CYP1A2 (0.36) CYP1A2CYP2A6TSHRACHE
SCHEMBL6650647 0.71 ACHE (0.38) CYP1A2CYP2A6TSHRALDH1A1ACHE
SCHEMBL30509266 0.69 ALDH1A1 (0.47) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL5178631 0.69 ALDH1A1 (0.47) CYP1A2CYP2A6TSHRALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214745-B2 Process for producing polymer DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2007-05-08 — — US disclosed
US-20050176901-A1 Process for producing polymer DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2005-08-11 — — US disclosed
EP-1428840-A1 PROCESS FOR PRODUCING POLYMER DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2004-06-16 — — EP disclosed
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