SCHEMBL7784137

SCHEMBL7784137

CCCCC(CC)Cc1ccccc1Oc1ccccc1CC(CC)CCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
CYP3A4 P08684 3/20 0.44
CA2 P00918 1/20 0.44
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL4006592 0.87 ALDH1A1 (0.42) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL153633 0.86 ALDH1A1 (0.47) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL29385746 0.86 ALDH1A1 (0.47) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL7784125 0.84 SLC6A4 (0.49) LMNAMMEACECPA1ACE2
SCHEMBL10470156 0.83 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL10955889 0.83 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL5147066 0.83 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL5936011 0.83 CYP3A4 (0.44) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL5147064 0.83 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL28302525 0.82 TSHR (0.50) ALDH1A1CYP3A4CA2TSHRALOX5

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-0803548-B1 Colored thermoplastic resin composition ORIENT CHEMICAL IND (JP) 2001-10-24 EP disclosed
US-5827911-A BLACK DYE IS OBTAINED BY REACTION OF NIGROSINE AND ATLEAST ONE ANIONIC SURFACTANT SELECTED FROM SULFURIC ACID ESTER OR SALTS, PHSOPHORIC ACID ESTER OR SALTS, SULFONIC ACID OR SALTS AND CARBOXYLIC ACID OR SALTS ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-27 US disclosed
EP-0803548-A2 Colored thermoplastic resin composition ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-29 EP disclosed
US-4066707-A METHOD FOR MANUFACTURE OF DIPHENOLS AND MONOALKYL ETHERS OF DIPHENOLS AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JA) 1978-01-03 US disclosed