SCHEMBL9445926

SCHEMBL9445926

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MEP1B Q16820 2/20 0.43
▸ HDAC1 Q13547 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ CCNT1 O60563 2/20 0.38
▸ CDK9 P50750 2/20 0.38
▸ ANPEP P15144 1/20 0.38
▸ METTL3 Q86U44 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ CA12 O43570 1/20 0.35

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
SCHEMBL9445923 1.00 MEN1 (0.46) MEN1KMT2AALDH1A1MEP1BHDAC1
SCHEMBL9445914 0.88 MEN1 (0.48) MEN1KMT2AALDH1A1MEP1BHDAC1
SCHEMBL9445912 0.88 MEN1 (0.48) MEN1KMT2AALDH1A1MEP1BHDAC1
SCHEMBL3390402 0.76 CCNT1 (0.46) HDAC1CCNT1CDK9
SCHEMBL9445917 0.76 HDAC1 (0.41) MEN1KMT2AALDH1A1MEP1BHDAC1
SCHEMBL24326690 0.75 TRPM8 (0.59) MEN1KMT2AALDH1A1MEP1BTRPM8
SCHEMBL1889631 0.75 TRPM8 (0.59) MEN1KMT2AALDH1A1MEP1BTRPM8
SCHEMBL1889629 0.75 TRPM8 (0.59) MEN1KMT2AALDH1A1MEP1BTRPM8
SCHEMBL1616321 0.74 ALDH1A1 (0.51) MEN1KMT2AALDH1A1MEP1BCYP2D6
Hydrochloric Acid SCHEMBL5808835 0.73 TRPM8 (0.56) MEN1KMT2AALDH1A1MEP1BTRPM8

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
Send feedback