SCHEMBL8893373

SCHEMBL8893373

CC(=O)OCCN1C(=O)C(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.49
TAS2R14 Q9NYV8 1/20 0.49
PTGS2 P35354 2/20 0.47
NAT1 P18440 2/20 0.46
MYC P01106 1/20 0.45
MAX P61244 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.45
PSMD14 O00487 1/20 0.45
POLB P06746 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.44
CISD1 Q9NZ45 2/20 0.44
FABP4 P15090 1/20 0.44
MAOA P21397 1/20 0.44
PTGS1 P23219 1/20 0.44
CTNNB1 P35222 2/20 0.43

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
SCHEMBL8933387 1.00 HSD17B3 (0.49) HSD17B3TAS2R14PTGS2NAT1MYC
SCHEMBL7704002 0.84 HSD17B3 (0.55) HSD17B3TAS2R14PTGS2NAT1MEN1
SCHEMBL7704006 0.84 HSD17B3 (0.55) HSD17B3TAS2R14PTGS2NAT1MEN1
SCHEMBL6881346 0.84 TAS2R14 (0.66) TAS2R14MEN1KMT2AMAPTALDH1A1
SCHEMBL6881348 0.84 TAS2R14 (0.66) TAS2R14MEN1KMT2AMAPTALDH1A1
SCHEMBL12008464 0.82 MAPT (0.62) TAS2R14MEN1KMT2AMAPTALDH1A1
SCHEMBL6888291 0.81 KMT2A (0.61) PTGS2MEN1KMT2AMAPTALDH1A1
SCHEMBL6888287 0.81 KMT2A (0.61) PTGS2MEN1KMT2AMAPTALDH1A1
SCHEMBL7246589 0.78 NAT1 (0.69) HSD17B3PTGS2NAT1MEN1KMT2A
SCHEMBL8198993 0.78 NAT1 (0.69) HSD17B3PTGS2NAT1MEN1KMT2A

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 8 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
WO-1996022772-A1 METHOD FOR TREATING MULTIPLE SCLEROSIS ELI LILLY AND COMPANY (US) 1996-08-01 WO disclosed
EP-0722729-A2 Aryl-substituted rhodanines for treating multiple sclerosis ELI LILLY AND COMPANY (US) 1996-07-24 EP 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