SCHEMBL8072476

SCHEMBL8072476

C=CCCCCCCCCc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC1 Q13547 2/20 0.44
TAAR1 Q96RJ0 3/20 0.43
HDAC4 P56524 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL8072561 1.00 USP2 (0.44) USP2ALDH1A1HPGDTDP1HDAC1
SCHEMBL8077499 1.00 USP2 (0.44) USP2ALDH1A1HPGDTDP1HDAC1
SCHEMBL8073020 1.00 USP2 (0.44) USP2ALDH1A1HPGDTDP1HDAC1
SCHEMBL7365318 0.98 TAAR1 (0.45) USP2ALDH1A1HPGDTDP1HDAC1
SCHEMBL14027703 0.92 MAOB (0.48) USP2ALDH1A1HPGDTDP1HDAC1
SCHEMBL8063276 0.92 TAAR1 (0.46) HDAC1TAAR1HDAC4SMN1; SMN2MAOB
SCHEMBL11336193 0.89 TDP1 (0.52) USP2ALDH1A1HPGDTDP1HDAC1
SCHEMBL12989712 0.89 TDP1 (0.52) USP2ALDH1A1HPGDTDP1HDAC1
SCHEMBL11328438 0.87 TDP1 (0.48) USP2ALDH1A1HPGDTDP1HDAC1
SCHEMBL14027699 0.86 MAOB (0.50) ALDH1A1HPGDHDAC1TAAR1HDAC4

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-6063940-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-16 US disclosed
US-5637736-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-10 US disclosed
EP-0637580-A1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-02-08 EP disclosed