SCHEMBL9445980

SCHEMBL9445980

CCOP(=O)(Cc1ccc(CNCC(=O)OC)cc1)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HDAC1 Q13547 2/20 0.38
▸ PPID Q08752 3/20 0.38
▸ PPIB P23284 1/20 0.38
▸ PPIA P62937 1/20 0.38
▸ PPIG Q13427 1/20 0.38
▸ NPY5R Q15761 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CCNT1 O60563 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC2 Q92769 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
SCHEMBL9445917 0.87 HDAC1 (0.41) HDAC1PPIDSMN1; SMN2CCNT1CDK9
SCHEMBL22046625 0.82 CYP4F2 (0.51) LMNAHDAC1NPY5RSMN1; SMN2CCNT1
SCHEMBL9445924 0.81 TSHR (0.46) HPGDLMNAPPIDCCNT1CDK9
SCHEMBL3375825 0.78 TSHR (0.50) HDAC1NPY5RCCNT1CDK9EGFR
SCHEMBL73418 0.76 LOXL2 (0.53) HPGDLMNAHDAC1SMN1; SMN2KDM4E
SCHEMBL15062768 0.75 CYP4F2 (0.46) HPGDLMNASMN1; SMN2KDM4ENPC1
SCHEMBL6811685 0.75 KMT2A (0.50) HPGDLMNAHDAC1SMN1; SMN2KDM4E
SCHEMBL1279312 0.75 CA1 (0.49) HPGDLMNASMN1; SMN2KDM4ECA12
SCHEMBL23822678 0.74 TSHR (0.43) HDAC1NPY5RCCNT1CDK9EGFR
SCHEMBL5004061 0.73 ALDH1A1 (0.54) HPGDLMNASMN1; SMN2KDM4ENPC1

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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