SCHEMBL9502687

SCHEMBL9502687

COC(=O)C(S)(CC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.49
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
SRC P12931 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MAPT P10636 2/20 0.38
DGAT1 O75907 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
HDAC3 O15379 1/20 0.37

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
SCHEMBL28660324 0.77 CYP2C19 (0.53) KCNN4CYP2C19HIF1AKMT2AMTNR1A
SCHEMBL27839162 0.77 KCNN4 (0.58) KCNN4CYP2C19HIF1ASRCKMT2A
SCHEMBL1593582 0.77 CYP2C19 (0.53) KCNN4CYP2C19HIF1AKMT2AMTNR1A
SCHEMBL5855770 0.74 CYP2C19 (0.46) KCNN4CYP2C19HIF1AKMT2AMTNR1A
SCHEMBL27708172 0.73 CYP2C19 (0.49) KCNN4CYP2C19HIF1AKMT2AMTNR1A
SCHEMBL1926066 0.73 CYP2C19 (0.45) KCNN4CYP2C19HIF1AKMT2AMTNR1A
SCHEMBL9179352 0.72 CYP2C19 (0.41) KCNN4CYP2C19HIF1AMTNR1AMTNR1B
SCHEMBL11222661 0.72 ALDH1A1 (0.51) KCNN4CYP2C19HIF1ASRCKMT2A
SCHEMBL17825682 0.72 CYP2C19 (0.47) KCNN4CYP2C19HIF1AKMT2AMEN1
SCHEMBL8130212 0.72 CHRM2 (0.45) CYP2C19HIF1AKMT2AMEN1RAB9A

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-0301877-B1 A METHOD OF DEPROTECTION OF 3-AMINO AZETIDINONES ELI LILLY AND COMPANY (US) 1993-04-14 EP disclosed
EP-0301877-A1 A method of deprotection of 3-amino azetidinones ELI LILLY AND COMPANY (US) 1989-02-01 EP disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP disclosed