SCHEMBL2562773

SCHEMBL2562773

COc1ccc(/C=C/C(=O)O)c2c1oc1cnccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP1A1 P04798 4/20 0.40
▸ CYP1A2 P05177 4/20 0.40
▸ CYP2D6 P10635 4/20 0.40
▸ CYP1B1 Q16678 4/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PDE4B Q07343 3/20 0.37
▸ PDE4A P27815 2/20 0.37
▸ PDE4C Q08493 2/20 0.37
▸ PDE4D Q08499 2/20 0.37

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
SCHEMBL2560821 1.00 HPGD (0.41) HPGDSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7709222 0.91 SMN1; SMN2 (0.41) HPGDSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2562733 0.88 KDM4E (0.39) HPGDSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2562731 0.88 KDM4E (0.39) HPGDSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2556731 0.86 CCNC (0.42) HPGDSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7707992 0.86 PDE4B (0.43) HPGDSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2559970 0.83 IDO1 (0.39) LMNAMAPTCYP1A1CYP1A2CYP1B1
SCHEMBL2562005 0.78 CCNC (0.42) CYP1A1CYP1A2CYP2D6CYP1B1CYP3A4
SCHEMBL2562008 0.78 CCNC (0.42) CYP1A1CYP1A2CYP2D6CYP1B1CYP3A4
SCHEMBL2563005 0.78 CCNC (0.42) HPGDSMN1; SMN2MEN1KMT2ALMNA

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
WO-2011132051-A2 TRICYCLE COMPOUNDS AS PHOSPHODIESTERASE-10 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-10-27 — — WO disclosed
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