SCHEMBL7563392

SCHEMBL7563392

C=CCCCCCCCCc1ccc2c(c1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HDAC1 Q13547 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC2 Q92769 1/20 0.45
TAAR1 Q96RJ0 1/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
CALM1 P0DP23 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2D6 P10635 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
SCHEMBL7563454 1.00 MAPT (0.49) MAPTCYP1A2CYP3A4HDAC1HDAC3
SCHEMBL7566970 1.00 MAPT (0.49) MAPTCYP1A2CYP3A4HDAC1HDAC3
SCHEMBL7569153 1.00 MAPT (0.49) MAPTCYP1A2CYP3A4HDAC1HDAC3
SCHEMBL8076026 0.98 MAPT (0.50) MAPTCYP1A2CYP3A4HDAC1HDAC3
SCHEMBL8077535 0.94 MAPT (0.51) MAPTCYP1A2CYP3A4HDAC1HDAC3
SCHEMBL7563151 0.91 CYP1A2 (0.61) MAPTCYP1A2CYP3A4HDAC1HDAC3
SCHEMBL29584472 0.91 CYP1A2 (0.61) MAPTCYP1A2CYP3A4HDAC1HDAC3
SCHEMBL7563159 0.91 CYP1A2 (0.61) MAPTCYP1A2CYP3A4HDAC1HDAC3
SCHEMBL7563180 0.91 CYP1A2 (0.61) MAPTCYP1A2CYP3A4HDAC1HDAC3
SCHEMBL8062339 0.91 CYP1A2 (0.61) MAPTCYP1A2CYP3A4HDAC1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0637580-B1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL CO (JP) 2002-08-14 EP disclosed
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