SCHEMBL11243330

SCHEMBL11243330

Cc1ccc2sc3cc(CC(=O)O)ccc3c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.45
KDM4E B2RXH2 7/20 0.45
MAPT P10636 6/20 0.45
ALDH1A1 P00352 5/20 0.45
HPGD P15428 5/20 0.45
HSD17B10 Q99714 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PTGER4 P35408 1/20 0.44
BCL2L1 Q07817 1/20 0.43
MCL1 Q07820 1/20 0.43
GAA P10253 2/20 0.42
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 2/20 0.41
RGS12 O14924 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
NFKB1 P19838 1/20 0.41
APEX1 P27695 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
SCHEMBL11246405 0.92 BCL2L1 (0.50) SLC22A12KDM4EMAPTALDH1A1HPGD
SCHEMBL11237206 0.87 KDM4E (0.47) SLC22A12KDM4EMAPTALDH1A1HPGD
SCHEMBL11246646 0.85 CA2 (0.49) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL11253323 0.84 CYP1A2 (0.47) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL11244551 0.84 KDM4E (0.44) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL11240017 0.84 KEAP1 (0.51) SLC22A12KDM4EMAPTALDH1A1HPGD
SCHEMBL11246422 0.84 KDM4E (0.44) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL11243026 0.83 KDM4E (0.41) SLC22A12KDM4EMAPTALDH1A1HPGD
SCHEMBL11246657 0.83 AKR1C2 (0.58) KDM4EMAPTALDH1A1HSD17B10GAA
SCHEMBL11240004 0.83 KDM4E (0.44) SLC22A12KDM4EMAPTALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4334078-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIRHEUMATICS HOFFMANN-LA ROCHE INC. (US) 1982-06-08 US disclosed
US-4219657-A USED AS ANTIINFLAMATORY AGENTS, ANALGESICS, ANTIRHEUMATIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-08-26 US disclosed