SCHEMBL8787175

SCHEMBL8787175

COc1ccc(COC(=O)CC2(CC(=O)O)CCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
FFAR1 O14842 1/20 0.44
KMT2A Q03164 3/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
ATM Q13315 1/20 0.41
FABP7 O15540 1/20 0.41
FABP5 Q01469 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL8787041 0.88 KMT2A (0.43) ALDH1A1KMT2APOLBSMN1; SMN2MAPK1
SCHEMBL2972573 0.85 ALDH1A1 (0.51) ALDH1A1HPGDTSHRKMT2AMAPK1
SCHEMBL394093 0.83 ALDH1A1 (0.50) ALDH1A1HPGDTSHRKMT2ASMN1; SMN2
SCHEMBL23326402 0.77 ALDH1A1 (0.46) ALDH1A1KMT2ANPC1POLBRAB9A
SCHEMBL8571445 0.75 ALDH1A1 (0.43) ALDH1A1TSHRFFAR1KMT2ANPC1
SCHEMBL9385235 0.75 ALDH1A1 (0.60) ALDH1A1FFAR1KMT2ANPC1POLB
SCHEMBL3727515 0.74 FFAR1 (0.60) ALDH1A1TSHRFFAR1KMT2ANPC1
SCHEMBL31252092 0.74 ALDH1A1 (0.49) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL19664220 0.74 ALDH1A1 (0.62) ALDH1A1KMT2ANPC1POLBRAB9A
SCHEMBL3732372 0.73 ALDH1A1 (0.59) ALDH1A1FFAR1KMT2ANPC1POLB

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-0681580-B1 PRODRUGS OF ANTIINFLAMMATORY 3-ACYL-2-OXINDOLE-1-CARBOXAMIDES PFIZER (US) 1997-07-09 EP disclosed
EP-0681580-A1 PRODRUGS OF ANTIINFLAMMATORY 3-ACYL-2-OXINDOLE-1-CARBOXAMIDES. PFIZER HOSPITAL PROD (US) 1995-11-15 EP disclosed
WO-1994017061-A1 PRODRUGS OF ANTIINFLAMMATORY 3-ACYL-2-OXINDOLE-1-CARBOXAMIDES PFIZER INC. (US) 1994-08-04 WO disclosed
US-5270331-A Prodrugs of antiinflammatory 3-acyl-2-oxindole-1-carboxamides PFIZER, INC. (US) 1993-12-14 US disclosed