SCHEMBL8077535

SCHEMBL8077535

C=CCCCc1ccc2c(c1)OCCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
TAAR1 Q96RJ0 1/20 0.45
CALM1 P0DP23 1/20 0.44
LMNA P02545 5/20 0.44
TP53 P04637 2/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
CYP2D6 P10635 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
THRB P10828 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
HDAC2 Q92769 1/20 0.40
KLF5 Q13887 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8076026 0.95 MAPT (0.50) MAPTCYP1A2CYP3A4TAAR1CALM1
SCHEMBL7569153 0.94 MAPT (0.49) MAPTCYP1A2CYP3A4TAAR1CALM1
SCHEMBL7563454 0.94 MAPT (0.49) MAPTCYP1A2CYP3A4TAAR1CALM1
SCHEMBL7563392 0.94 MAPT (0.49) MAPTCYP1A2CYP3A4TAAR1CALM1
SCHEMBL7566970 0.94 MAPT (0.49) MAPTCYP1A2CYP3A4TAAR1CALM1
SCHEMBL8075978 0.90 CYP1A2 (0.65) MAPTCYP1A2CYP3A4TAAR1CALM1
SCHEMBL8070753 0.90 MAPT (0.54) MAPTCYP1A2CYP3A4TAAR1CALM1
SCHEMBL8077689 0.85 CYP1A2 (0.63) MAPTCYP1A2CYP3A4TAAR1CALM1
SCHEMBL7563180 0.84 CYP1A2 (0.61) MAPTCYP1A2CYP3A4TAAR1CALM1
SCHEMBL7563151 0.84 CYP1A2 (0.61) MAPTCYP1A2CYP3A4TAAR1CALM1

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