SCHEMBL7523237

SCHEMBL7523237

CC(=O)C=CCNc1ccc(C(=O)O)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.46
BCL2L1 Q07817 1/20 0.46
KMT2A Q03164 4/20 0.44
SIRT5 Q9NXA8 2/20 0.44
STAT3 P40763 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 2/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 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
SCHEMBL7350353 0.79 KMT2A (0.49) MCL1BCL2L1KMT2ASIRT5STAT3
SCHEMBL20999134 0.77 BCL2L1 (0.53) MCL1BCL2L1KMT2ASIRT5STAT3
SCHEMBL4653744 0.75 TRPV1 (0.46) MCL1BCL2L1HSD17B10POLBTSHR
SCHEMBL4653741 0.75 TRPV1 (0.46) MCL1BCL2L1HSD17B10POLBTSHR
SCHEMBL5961640 0.75 BCL2L1 (0.52) MCL1BCL2L1KMT2ASIRT5STAT3
SCHEMBL12862656 0.74 BCL2L1 (0.58) MCL1BCL2L1KMT2ASIRT5STAT3
SCHEMBL155359 0.73 KMT2A (0.53) MCL1BCL2L1KMT2APKMALDH1A1
SCHEMBL3299042 0.73 KDM4C (0.56) MCL1BCL2L1KMT2ASIRT5STAT3
SCHEMBL24107347 0.73 MCL1 (0.50) MCL1BCL2L1KMT2ASIRT5STAT3
SCHEMBL7529550 0.73 KMT2A (0.56) KMT2ASIRT5STAT3CTDSP1PKM

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
US-5288731-A Antiemetics, antiserotonine agents RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-02-22 US disclosed
WO-1992009284-A1 2,6-METHANO-2H-1-BENZOXOCINCARBOXAMIDES AS 5-HT3-ANTAGONISTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-06-11 WO disclosed
WO-1989010364-A1 DIBENZOFURANCARBOXAMIDES RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-11-02 WO disclosed