SCHEMBL9000057

SCHEMBL9000057

CC(C(=O)NO)c1c(C(=O)c2ccc(Cl)cc2)oc2cc(O)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ SLC22A12 Q96S37 2/20 0.44
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ HSD17B3 P37058 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ TTR P02766 1/20 0.38
▸ EYA3 Q99504 1/20 0.38
▸ MAP1LC3B Q9GZQ8 1/20 0.37
▸ MAP1LC3A Q9H492 1/20 0.37

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
SCHEMBL8309076 0.74 CA12 (0.43) MAPTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL8550054 0.73 SLC22A12 (0.44) LMNAHTTSLC22A12MAPTSMN1; SMN2
SCHEMBL12013388 0.70 HTT (0.47) LMNAHTTSLC22A12MAPTSMN1; SMN2
SCHEMBL679245 0.70 ALDH1A1 (0.46) LMNAHTTSLC22A12MAPTSMN1; SMN2
SCHEMBL4437800 0.69 ALDH1A1 (0.52) LMNAHTTSLC22A12MAPTSMN1; SMN2
SCHEMBL5964314 0.69 HTT (0.46) LMNAHTTSLC22A12MAPTSMN1; SMN2
SCHEMBL8551230 0.67 ALDH1A1 (0.44) LMNAHTTSLC22A12MAPTSMN1; SMN2
SCHEMBL16540771 0.66 MAPT (0.52) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL18012132 0.65 KDM4E (0.47) MAPTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL16540660 0.65 KDM4E (0.47) MAPTSMN1; SMN2NPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5504213-A ANTIINFLAMMATORY AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-04-02 — — US disclosed
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