SCHEMBL9011197

SCHEMBL9011197

O=C(O)Cc1cccc(C2(O)CCN(C(=O)c3cccnc3)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
LMNA P02545 2/20 0.65
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CHRM2 P08172 1/20 0.56
PKM P14618 2/20 0.52
KDM4E B2RXH2 3/20 0.50
HTT P42858 1/20 0.50
ALOX15 P16050 1/20 0.47
VNN1 O95497 1/20 0.46
PARP10 Q53GL7 1/20 0.45
NAPRT Q6XQN6 1/20 0.45

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
SCHEMBL27508887 0.84 ALDH1A1 (0.85) ALDH1A1LMNACYP3A4CYP2C9CYP2C19
SCHEMBL7810116 0.82 LMNA (0.63) ALDH1A1LMNACYP3A4CYP2C9CYP2C19
SCHEMBL9011281 0.81 NPC1 (0.56) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL9011067 0.79 ALDH1A1 (0.65) ALDH1A1LMNAMEN1KMT2ACHRM2
SCHEMBL9010998 0.78 ALDH1A1 (0.53) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL9011061 0.77 CCR5 (0.54) ALDH1A1LMNACYP2C9CHRM2PKM
SCHEMBL4401845 0.77 ALDH1A1 (0.51) ALDH1A1LMNACYP3A4CYP2C9CYP2C19
SCHEMBL9011241 0.77 NOS2 (0.53) ALDH1A1LMNAKDM4EHTT
SCHEMBL9011044 0.76 PKLR (0.47) ALDH1A1LMNACYP3A4CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL1380703 0.73 LMNA (0.47) ALDH1A1LMNACYP3A4CYP2C9CYP2C19

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-1035178-C Arylamide derivatives SS PHARMACEUTICAL CO (JP) 1997-06-18 CN disclosed
US-5532371-A SIDE EFFECT REDUCTION SS PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 US disclosed
US-5411972-A Arylamide derivatives for treating hyperlipemia SS PHARMACEUTICAL CO., LTD. (JP) 1995-05-02 US disclosed
CN-1094039-A Arylamide derivatives SS PHARMACEUTICAL CO (JP) 1994-10-26 CN disclosed
EP-0607536-A1 Arylamide derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1994-07-27 EP disclosed