SCHEMBL8894033

SCHEMBL8894033

OCCCc1cccc(CCCO)c1O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.48
GABRB2 P47870 3/20 0.48
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
IAPP P10997 4/20 0.39
HMGB1 P09429 1/20 0.38
POLB P06746 1/20 0.36
MPO P05164 1/20 0.35
SLC6A4 P31645 1/20 0.35
TYR P14679 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
SCHEMBL9153692 0.93 ALOX5 (0.47) GABRA1GABRB2ALOX5PTGS2IAPP
SCHEMBL30810444 0.89 IAPP (0.53) ALOX5PTGS2IAPPMPOSLC6A4
SCHEMBL1236262 0.89 IAPP (0.53) ALOX5PTGS2IAPPMPOSLC6A4
SCHEMBL8405872 0.85 ALDH1A1 (0.50) GABRA1GABRB2ALOX5PTGS2IAPP
SCHEMBL15319206 0.85 HSP90AA1 (0.49) GABRA1GABRB2ALOX5PTGS2POLB
SCHEMBL11109102 0.84 GABRA1 (0.52) GABRA1GABRB2ALOX5PTGS2IAPP
SCHEMBL29681348 0.81 TDP1 (0.43) POLBMPOSLC6A4
SCHEMBL1607140 0.81 TDP1 (0.43) POLBMPOSLC6A4
SCHEMBL29681353 0.81 TDP1 (0.43) POLBMPOSLC6A4
SCHEMBL9863155 0.81 IAPP (0.50) IAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691367-A ANTIINFLAMMATORY AGENTS OR ANTIARTHRITIC AGENTS ELI LILLY AND COMPANY (US) 1997-11-25 US disclosed
EP-0391644-B1 Aryl-substituted rhodanine derivatives LILLY CO ELI (US) 1996-06-19 EP disclosed
US-5356917-A Antiischemic, antiinflammatory, antiarthritic agents, treat-ment of dystrophic mammals ELI LILLY AND COMPANY (US) 1994-10-18 US disclosed
US-5158966-A Aryl-substituted rhodanine derivatives THE UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1992-10-27 US disclosed
EP-0500337-A1 Composition containing aryl-substituted rhodanine derivatives for the treatment of type I diabetes UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1992-08-26 EP disclosed
EP-0391644-A2 Aryl-substituted rhodanine derivatives ELI LILLY AND COMPANY (US) 1990-10-10 EP disclosed