SCHEMBL9445914

SCHEMBL9445914

CCOP(=O)(Cc1cccc(CNC(C)C(=O)OC)c1)OCC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ MEP1B Q16820 2/20 0.41
▸ MAPT P10636 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ CCNT1 O60563 2/20 0.39
▸ CDK9 P50750 2/20 0.39
▸ MAOB P27338 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAOA P21397 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ PDCD1 Q15116 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38

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
SCHEMBL9445912 1.00 MEN1 (0.48) MEN1KMT2AMEP1BMAPTL3MBTL1
SCHEMBL9445926 0.88 MEN1 (0.46) MEN1KMT2AMEP1BHDAC1CCNT1
SCHEMBL9445923 0.88 MEN1 (0.46) MEN1KMT2AMEP1BHDAC1CCNT1
SCHEMBL9446006 0.80 MAPT (0.39) MAPTL3MBTL1ALDH1A1SCN9A
SCHEMBL9446002 0.80 MAPT (0.39) MAPTL3MBTL1ALDH1A1SCN9A
SCHEMBL3390402 0.78 CCNT1 (0.46) MAPTHDAC1CCNT1CDK9
SCHEMBL9445917 0.78 HDAC1 (0.41) MEN1KMT2AMEP1BHDAC1CCNT1
SCHEMBL1616460 0.76 ALDH1A1 (0.58) MEN1KMT2AMEP1BMAPTL3MBTL1
SCHEMBL1616311 0.76 ALDH1A1 (0.58) MEN1KMT2AMEP1BMAPTL3MBTL1
SCHEMBL498351 0.74 LOXL2 (0.57) MAPTHDAC1ALDH1A1

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-5179085-A Cerebrovascular disorders WARNER-LAMBERT COMPANY (US) 1993-01-12 — — US disclosed
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