SCHEMBL9819043

SCHEMBL9819043

Cc1ccc2c(c1)OC(C)CC2=O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.65
PBRM1 Q86U86 1/20 0.55
NPC1 O15118 1/20 0.55
BRD4 O60885 1/20 0.53
CREBBP Q92793 1/20 0.53
CYP19A1 P11511 2/20 0.44
ALDH1A1 P00352 1/20 0.43
ALDH2 P05091 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.42

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
SCHEMBL9819049 1.00 MAOB (0.65) MAOBPBRM1NPC1BRD4CREBBP
SCHEMBL3683723 0.86 PBRM1 (0.69) MAOBPBRM1NPC1BRD4CREBBP
SCHEMBL3681000 0.86 PBRM1 (0.69) MAOBPBRM1NPC1BRD4CREBBP
SCHEMBL9818829 0.81 PBRM1 (0.54) MAOBPBRM1CYP19A1ALDH1A1CYP3A4
SCHEMBL9819102 0.81 PBRM1 (0.77) MAOBPBRM1CYP19A1CYP3A4
SCHEMBL9819050 0.81 MAOB (0.63) MAOBPBRM1
SCHEMBL9749344 0.81 CYP19A1 (0.63) MAOBPBRM1BRD4CREBBPCYP19A1
SCHEMBL9464541 0.79 CYP19A1 (0.68) MAOBCYP19A1ALDH1A1CYP3A4
SCHEMBL11377137 0.79 PBRM1 (0.58) MAOBPBRM1NPC1BRD4CREBBP
SCHEMBL22714605 0.78 PBRM1 (0.50) MAOBPBRM1NPC1CYP19A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111518112-B Bis-furanone pyran compound and preparation method and application thereof 四川什邡市三高生化实业有限公司 2023-01-03 CN claimed
CN-111518112-A Bis-furanone pyran compound and preparation method and application thereof 朱翠萍 2020-08-11 CN claimed
CN-111518112-B Bis-furanone pyran compound and preparation method and application thereof 四川什邡市三高生化实业有限公司 2023-01-03 CN disclosed
CN-111518112-A Bis-furanone pyran compound and preparation method and application thereof 朱翠萍 2020-08-11 CN disclosed
EP-0230379-B1 CHROMAN- AND THIOCHROMAN-4-ACETIC ACIDS USEFUL IN THE TREATMENT OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1991-04-03 EP disclosed