SCHEMBL9445917

SCHEMBL9445917

CCOP(=O)(Cc1cccc(CNCC(=O)OC)c1)OCC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.41
▸ CCNT1 O60563 3/20 0.40
▸ CDK9 P50750 3/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PPID Q08752 1/20 0.36
▸ MEP1B Q16820 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ PDCD1 Q15116 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ MMP13 P45452 1/20 0.36

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
SCHEMBL9445980 0.87 HPGD (0.39) HDAC1CCNT1CDK9MEN1KMT2A
SCHEMBL9446009 0.82 POLB (0.41) HDAC1CCNT1CDK9MEN1KMT2A
SCHEMBL3390402 0.80 CCNT1 (0.46) HDAC1CCNT1CDK9EGFR
SCHEMBL9446021 0.79 LTA4H (0.45) HDAC1KMT2AALDH1A1PPID
SCHEMBL9445924 0.79 TSHR (0.46) CCNT1CDK9MEN1KMT2AKDM4E
SCHEMBL9445914 0.78 MEN1 (0.48) HDAC1CCNT1CDK9MEN1KMT2A
SCHEMBL9445912 0.78 MEN1 (0.48) HDAC1CCNT1CDK9MEN1KMT2A
SCHEMBL498351 0.76 LOXL2 (0.57) HDAC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL9445923 0.76 MEN1 (0.46) HDAC1CCNT1CDK9MEN1KMT2A
SCHEMBL9445926 0.76 MEN1 (0.46) HDAC1CCNT1CDK9MEN1KMT2A

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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