SCHEMBL8078017

SCHEMBL8078017

C=CCCCCCc1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

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
HTR2A P28223 1/20 0.43
HDAC4 P56524 1/20 0.43
PYCR1 P32322 1/20 0.42
HMOX1 P09601 1/20 0.40
GPR52 Q9Y2T5 1/20 0.39
THRA P10827 3/20 0.38
THRB P10828 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL15065059 1.00 USP2 (0.44) USP2ALDH1A1HPGDTDP1HDAC1
SCHEMBL8078219 1.00 USP2 (0.44) USP2ALDH1A1HPGDTDP1HDAC1
SCHEMBL8072998 1.00 USP2 (0.44) USP2ALDH1A1HPGDTDP1HDAC1
SCHEMBL31280876 1.00 USP2 (0.44) USP2ALDH1A1HPGDTDP1HDAC1
SCHEMBL31281054 1.00 USP2 (0.44) USP2ALDH1A1HPGDTDP1HDAC1
SCHEMBL8077813 1.00 USP2 (0.44) USP2ALDH1A1HPGDTDP1HDAC1
SCHEMBL8073311 0.98 TAAR1 (0.45) USP2ALDH1A1HPGDTDP1HDAC1
SCHEMBL8062755 0.92 TAAR1 (0.46) USP2ALDH1A1HPGDTDP1HDAC1
SCHEMBL11336193 0.89 TDP1 (0.52) USP2ALDH1A1HPGDTDP1HDAC1
SCHEMBL12989712 0.89 TDP1 (0.52) USP2ALDH1A1HPGDTDP1HDAC1

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