SCHEMBL19910396

SCHEMBL19910396

CN(CCOc1ccc(C(=O)O)cc1F)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
ACHE P22303 2/20 0.59
MCHR1 Q99705 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 4/20 0.52
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
ATM Q13315 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL19910455 0.88 L3MBTL1 (0.50) L3MBTL1ACHEMCHR1MEN1KMT2A
SCHEMBL14569771 0.79 TSHR (0.69) ACHEMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL19910374 0.79 KDM4E (0.46) L3MBTL1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL9623610 0.78 LMNA (0.66) ALDH1A1THRATHRB
SCHEMBL21574223 0.78 L3MBTL1 (0.46) L3MBTL1ACHEMCHR1MEN1KMT2A
SCHEMBL229472 0.77 MRGPRX4 (0.69) MEN1KMT2A
SCHEMBL2741671 0.77 MCHR1 (0.62) MCHR1THRATHRB
SCHEMBL14569696 0.77 TSHR (0.66) ACHEMEN1KMT2AKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL224422 0.76 MCHR1 (0.61) MCHR1THRATHRB
SCHEMBL1470380 0.76 LMNA (0.63) KMT2AALDH1A1THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3065738-B1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2018-02-28 EP disclosed