SCHEMBL9813061

SCHEMBL9813061

[CH2]NCCCc1ccc(OC)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.62
▸ POLB P06746 1/20 0.62
▸ KDM4E B2RXH2 1/20 0.56
▸ MAPT P10636 1/20 0.55
▸ KMT2A Q03164 1/20 0.54
▸ CA2 P00918 3/20 0.53
▸ CYP19A1 P11511 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ CA12 O43570 2/20 0.53
▸ CA1 P00915 2/20 0.53
▸ CA9 Q16790 2/20 0.53
▸ CA5A P35218 1/20 0.53
▸ CA14 Q9ULX7 1/20 0.53
▸ BLM P54132 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ PPARG P37231 1/20 0.50

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
SCHEMBL6966485 0.89 ATM (0.71) ATMPOLBKDM4EMAPTKMT2A
SCHEMBL2845264 0.84 ATM (0.80) ATMPOLBKDM4EMAPTKMT2A
Hydrochloric Acid SCHEMBL9782076 0.84 SLC2A1 (0.65) ATMPOLBKDM4EMAPTKMT2A
SCHEMBL10343404 0.83 ATM (0.70) ATMPOLBKDM4EMAPTKMT2A
SCHEMBL30869991 0.83 ATM (0.70) ATMPOLBKDM4EMAPTKMT2A
SCHEMBL11811971 0.83 SLC2A1 (0.68) ATMPOLBKDM4EMAPTKMT2A
SCHEMBL23913120 0.81 ATM (0.68) ATMPOLBKDM4EMAPTCA2
SCHEMBL31556190 0.81 ATM (0.68) ATMPOLBKDM4EMAPTCA2
SCHEMBL31556187 0.81 ATM (0.68) ATMPOLBKDM4EMAPTCA2
SCHEMBL6160654 0.80 ATM (0.61) ATMPOLBKDM4EMAPTCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0266549-B1 CINNAMYL AMINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1991-06-19 — — EP disclosed
EP-0266549-A1 Cinnamyl amines, process for their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1988-05-11 — — EP disclosed
Send feedback