SCHEMBL11365709

SCHEMBL11365709

CCOC(=O)C(C)(C)c1cccc(OC(=O)C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.44
▸ CNR2 P34972 6/20 0.43
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ MAOB P27338 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ FBP1 P09467 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ F10 P00742 1/20 0.38
▸ PLG P00747 1/20 0.38
▸ PRSS1 P07477 1/20 0.38

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
SCHEMBL11370912 0.83 ATM (0.41) ATMPPARGPPARAKDM4EPRSS1
SCHEMBL2008777 0.83 MAOB (0.47) CNR2PPARGPPARAMAOBKDM4E
SCHEMBL3928629 0.83 CNR2 (0.50) CNR2PPARGPPARAMAOBMAPT
SCHEMBL5216184 0.81 NPSR1 (0.49) ATMCNR2POLBMAPTTHRB
SCHEMBL9692544 0.80 KMT2A (0.51) CNR2PPARGPPARAMAOBMAPT
SCHEMBL2060134 0.78 CNR2 (0.52) CNR2PPARGPPARAMAOBF2
SCHEMBL29281054 0.78 POLB (0.49) ATMPOLBMAPTTHRBNPSR1
SCHEMBL10732623 0.78 PRSS1 (0.52) ATMPPARGPPARAFAAHMAPT
SCHEMBL1077335 0.77 CNR2 (0.42) ATMCNR2PPARGPPARAMAOB
SCHEMBL3923273 0.77 CNR2 (0.51) CNR2PPARGPPARAMAOBPOLB

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
EP-0003552-B1 POLYMERS WITH LATERAL TRICYCLIC IMIDYL GROUPS, CROSS-LINKABLE BY THE ACTION OF LIGHT, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1982-05-26 — — EP disclosed
US-4285958-A ANTIALLERGENS; ANTIHISTAMINES; BRONCHODILATOR AGENTS RICHARDSON-MERRELL INC. (US) 1981-08-25 — — US disclosed
US-4285957-A ANTIALLERGENS; ANTIHISTAMINES; BRONCHODILATOR AGENTS RICHARDSON-MERRELL INC. (US) 1981-08-25 — — US disclosed
US-4254130-A ANTIALLERGENS RICHARDSON-MERRELL INC. (US) 1981-03-03 — — US disclosed
US-4254129-A ANTIALLERGENS, BRONCHODILATORS, ANTIHISTAMINES; 4-DIPHENYLMETHYL PIPERIDINO-ALKANOLS RICHARDSON-MERRELL INC. (US) 1981-03-03 — — US disclosed
Send feedback