SCHEMBL11441150

SCHEMBL11441150

COc1ccc2c(c1)CCc1c(cccc1C(=O)O)S2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.43
▸ GLA P06280 1/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ ALPL P05186 1/20 0.43
▸ CLK1 P49759 1/20 0.43
▸ CXCR5 P32302 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ FABP4 P15090 2/20 0.40
▸ AKR1C3 P42330 2/20 0.40
▸ AKR1C2 P52895 2/20 0.40
▸ RYR2 Q92736 2/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ NR4A1 P22736 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ PTPN7 P35236 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39

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
SCHEMBL11430580 0.89 TAS1R3 (0.39) KDM4EGLAMEN1KMT2AHSD17B10
SCHEMBL11442019 0.87 SMN1; SMN2 (0.41) KDM4EMEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL11438923 0.85 TAS1R3 (0.37) KDM4EGLAMEN1KMT2AHSD17B10
SCHEMBL11427407 0.83 GAA (0.39) POLBMCL1NPC1RAB9A
SCHEMBL11430646 0.82 ITGB3 (0.35) POLBMCL1NPC1ALDH1A1RAB9A
SCHEMBL11427495 0.82 ALDH1A1 (0.42) HSD17B10MAPTALDH1A1LMNA
SCHEMBL11435848 0.81 CXCR5 (0.40) KDM4ECXCR5FABP4AKR1C3MAPT
SCHEMBL11442744 0.80 NOX1 (0.42) MEN1KMT2ASMN1; SMN2RYR2TDP1
SCHEMBL11432336 0.80 TRPA1 (0.41) KDM4EKMT2ACXCR5SMN1; SMN2AKR1C3
SCHEMBL11442749 0.79 CXCR5 (0.43) KDM4EHSD17B10CXCR5FABP4ALDH1A1

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-4228284-A ANTIINFLAMMATORY AGENTS Nippon Chemiphar Company, Limited (JP) 1980-10-14 — — US disclosed
US-4166127-A ANTIINFLAMMATORY AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1979-08-28 — — US disclosed
US-4101667-A ANTIINFLAMMATORY AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1978-07-18 — — US disclosed
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