SCHEMBL19388467

SCHEMBL19388467

CC(=O)c1ccc(C2C[C@@H]2c2ccc(C(C)=O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HSD17B1 P14061 1/20 0.45
▸ MAPK1 P28482 2/20 0.42
▸ NOS3 P29474 2/20 0.42
▸ NOS1 P29475 2/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ STAT1 P42224 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CHRNA1 P02708 1/20 0.41
▸ CHRNG P07510 1/20 0.41
▸ CHRNB1 P11230 1/20 0.41
▸ CHRNB2 P17787 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
SCHEMBL12295869 1.00 HPGD (0.46) HPGDMAPTLMNARAB9AL3MBTL1
SCHEMBL20221517 0.86 KMT2A (0.46) HPGDMAPTLMNARAB9AL3MBTL1
SCHEMBL21501031 0.82 FFAR1 (0.57) MAPTL3MBTL1KMT2ASMN1; SMN2MAPK1
SCHEMBL23425326 0.82 FFAR1 (0.57) MAPTL3MBTL1KMT2ASMN1; SMN2MAPK1
SCHEMBL31596805 0.79 SMN1; SMN2 (0.53) HPGDMAPTLMNARAB9AKMT2A
SCHEMBL3222423 0.77 HDAC8 (0.50) HPGDMAPTLMNARAB9AL3MBTL1
SCHEMBL50646 0.77 MAPT (0.68) HPGDMAPTLMNARAB9AL3MBTL1
SCHEMBL13790981 0.77 MAPT (0.35) HPGDMAPTLMNARAB9AL3MBTL1
SCHEMBL11803963 0.77 KMT2A (0.43) HPGDMAPTLMNARAB9AL3MBTL1
SCHEMBL11703625 0.77 KMT2A (0.43) HPGDMAPTLMNARAB9AL3MBTL1

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-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 — — US disclosed
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