SCHEMBL6684967

SCHEMBL6684967

ClCCCc1c(Br)ccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MC4R P32245 1/20 0.38
ALDH1A1 P00352 5/20 0.38
CYP2A6 P11509 3/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 4/20 0.37
GAA P10253 3/20 0.37
MAPT P10636 3/20 0.37
TAAR1 Q96RJ0 1/20 0.37
POLB P06746 1/20 0.36
HPRT1 P00492 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NCEH1 Q6PIU2 1/20 0.35
PAX8 Q06710 1/20 0.34

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
SCHEMBL6685052 0.95 L3MBTL1 (0.40) L3MBTL1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL6680370 0.93 MC4R (0.39) L3MBTL1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL6682145 0.93 MC4R (0.39) L3MBTL1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL6686397 0.93 MC4R (0.39) L3MBTL1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL6684824 0.93 MC4R (0.39) L3MBTL1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL11140752 0.82 NCEH1 (0.50) L3MBTL1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL11740684 0.81 L3MBTL1 (0.63) L3MBTL1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL11867484 0.79 NCEH1 (0.47) L3MBTL1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL20561934 0.78 TAAR1 (0.47) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL8035089 0.78 HSD17B10 (0.46) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1

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
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed