SCHEMBL9017449

SCHEMBL9017449

COc1cc(OC)cc(C(C)(C)CC(C)(CCCC(=O)NO)c2cc(OC)cc(OC)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 11/20 0.45
▸ HDAC6 Q9UBN7 7/20 0.45
▸ HDAC8 Q9BY41 6/20 0.45
▸ HDAC4 P56524 6/20 0.45
▸ HDAC3 O15379 4/20 0.45
▸ HDAC7 Q8WUI4 4/20 0.45
▸ HDAC2 Q92769 4/20 0.45
▸ HDAC10 Q969S8 4/20 0.45
▸ HDAC11 Q96DB2 4/20 0.45
▸ HDAC9 Q9UKV0 4/20 0.45
▸ HDAC5 Q9UQL6 4/20 0.45
▸ CNR2 P34972 8/20 0.44
▸ CNR1 P21554 7/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL9017440 0.79 CNR2 (0.36) HDAC1HDAC8HDAC3HDAC2CNR2
SCHEMBL9017452 0.78 CNR2 (0.41) CNR2CNR1TRPV1
SCHEMBL9017438 0.73 KMT2A (0.36) CNR2CNR1TRPV1
SCHEMBL23198361 0.70 CNR2 (0.50) CNR2CNR1TRPV1
SCHEMBL23461353 0.68 CNR2 (0.55) CNR2CNR1TRPV1
SCHEMBL23802179 0.67 CNR2 (0.57) CNR2CNR1TRPV1
SCHEMBL11422604 0.67 HDAC1 (0.56) HDAC1HDAC6HDAC8HDAC4HDAC3
SCHEMBL21727711 0.65 AKR1C3 (0.39) CNR2CNR1TRPV1
SCHEMBL15506135 0.65 ALDH1A1 (0.50) CNR2CNR1
SCHEMBL23162732 0.65 RXRA (0.42) CNR2CNR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563292-A TREATING HYPERPROLIFERATIVE SKIN DISEASE SCHERING CORPORATION (US) 1996-10-08 — — US disclosed
WO-1991005757-A1 LIPOXYGENASE INHIBITORS SCHERING CORPORATION (US) 1991-05-02 — — WO disclosed
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