SCHEMBL9017440

SCHEMBL9017440

COc1cc(OC)cc(C(C)(C)CC(C)(CCCC=O)c2cc(OC)cc(OC)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.36
▸ CNR1 P21554 7/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ BACE1 P56817 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CYP24A1 Q07973 1/20 0.31
▸ HDAC3 O15379 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ HDAC8 Q9BY41 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ ACAT1 P24752 1/20 0.30

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
SCHEMBL9017452 0.79 CNR2 (0.41) CNR2CNR1TRPV1ALDH1A1SMN1; SMN2
SCHEMBL9017449 0.79 HDAC1 (0.45) CNR2CNR1TRPV1HDAC3HDAC1
SCHEMBL9017438 0.74 KMT2A (0.36) CNR2CNR1TRPV1
SCHEMBL23162447 0.73 ALDH1A1 (0.42) CNR2CNR1BACE1ALDH1A1KDM4E
SCHEMBL21727711 0.69 AKR1C3 (0.39) CNR2CNR1TRPV1SMN1; SMN2KDM4E
SCHEMBL25965182 0.67 ALDH1A1 (0.39) CNR2CNR1TRPV1ALDH1A1SMN1; SMN2
SCHEMBL23802246 0.66 CNR2 (0.50) CNR2CNR1TRPV1ALDH1A1
SCHEMBL23461353 0.66 CNR2 (0.55) CNR2CNR1TRPV1
SCHEMBL17129735 0.66 ALDH1A1 (0.46) CNR2CNR1TRPV1ALDH1A1KDM4E
SCHEMBL23162732 0.65 RXRA (0.42) CNR2CNR1ALDH1A1KDM4EGAA

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 3 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
EP-0495917-A1 LIPOXYGENASE INHIBITORS SCHERING CORPORATION (US) 1992-07-29 — — EP disclosed
WO-1991005757-A1 LIPOXYGENASE INHIBITORS SCHERING CORPORATION (US) 1991-05-02 — — WO disclosed
Send feedback