SCHEMBL9667697

SCHEMBL9667697

CCN1C(=O)Cc2cc(C(=O)OC)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 5/20 0.45
GAA P10253 1/20 0.45
SRD5A1 P18405 1/20 0.45
SRD5A2 P31213 1/20 0.45
CASP3 P42574 1/20 0.45
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATAD2 Q6PL18 1/20 0.43
HPGD P15428 2/20 0.42
BMPR1B O00238 1/20 0.41
BMPR1A P36894 1/20 0.41
TGFBR1 P36897 1/20 0.41
ACVRL1 P37023 1/20 0.41
ACVR1 Q04771 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
SCHEMBL27570035 0.89 SMN1; SMN2 (0.48) BRD4SMN1; SMN2ALDH1A1SRD5A1SRD5A2
SCHEMBL9667208 0.88 SRD5A1 (0.51) BRD4ALDH1A1GAASRD5A1SRD5A2
SCHEMBL18031362 0.86 CASP3 (0.46) SMN1; SMN2ALDH1A1SRD5A1SRD5A2CASP3
SCHEMBL24233398 0.84 CRHR1 (0.45) SMN1; SMN2ALDH1A1SRD5A1SRD5A2CASP3
SCHEMBL9376138 0.84 POLB (0.51) BRD4SMN1; SMN2ALDH1A1GAASRD5A2
SCHEMBL9666372 0.84 BRD4 (0.51) BRD4ALDH1A1GAATP53NPC1
SCHEMBL7234123 0.83 BRD4 (0.50) BRD4ALDH1A1GAARAB9AATAD2
SCHEMBL24233521 0.81 NPSR1 (0.50) SMN1; SMN2ALDH1A1SRD5A1SRD5A2CASP3
SCHEMBL24233407 0.81 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1GAASRD5A1SRD5A2
SCHEMBL4894332 0.81 BRD4 (0.48) BRD4SMN1; SMN2ALDH1A1GAAKDM4E

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-0181136-B1 OXINDOLE ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1992-03-25 EP disclosed
US-4686224-A Oxindole antiinflammatory agents PFIZER INC. (US) 1987-08-11 US disclosed
EP-0181136-A2 Oxindole antiinflammatory agents PFIZER INC. (US) 1986-05-14 EP disclosed