SCHEMBL7981256

SCHEMBL7981256

COc1ccc2c(c1)C(=O)C(=CCC(=O)O)CC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.62
ALDH1A1 P00352 3/20 0.57
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
CYP19A1 P11511 4/20 0.56
NQO2 P16083 2/20 0.54
MTNR1A P48039 2/20 0.54
MTNR1B P49286 2/20 0.54
MAOA P21397 2/20 0.54
ACHE P22303 1/20 0.54
MIF P14174 4/20 0.50
CYP26A1 O43174 1/20 0.48
MAPT P10636 3/20 0.46
MAPK14 Q16539 1/20 0.46
ABCB1 P08183 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL7981254 1.00 MAOB (0.62) MAOBALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL10395193 0.81 NQO2 (0.49) MAOBALDH1A1CYP19A1NQO2MTNR1A
SCHEMBL9629727 0.81 NQO2 (0.49) MAOBALDH1A1CYP19A1NQO2MTNR1A
SCHEMBL6361472 0.81 MAOB (0.67) MAOBALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL6361474 0.81 MAOB (0.67) MAOBALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL7510755 0.78 MAOB (0.67) MAOBALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL17571252 0.76 MAOB (0.64) MAOBALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL13254636 0.76 MAOB (0.85) MAOBALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL3502646 0.76 MAOB (0.85) MAOBALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL6990658 0.76 MAOB (0.64) MAOBALDH1A1LMNASMN1; SMN2NPC1

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-6300340-B1 USEFUL FOR THERAPY OF CANCER AND SOLID TUMORS ADIR ET COMPAGNIE (FR) 2001-10-09 US disclosed
US-6162822-A Bisimide compounds ADIR ET COMPAGNIE (FR) 2000-12-19 US disclosed
US-5854273-A Bisimide compounds ADIR ET COMPAGNIE (FR) 1998-12-29 US disclosed