SCHEMBL25815642

SCHEMBL25815642

CCCNC(=O)COc1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HPGD P15428 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MRGPRX4 Q96LA9 1/20 0.47
GLA P06280 2/20 0.46
GAA P10253 2/20 0.46
PPARG P37231 1/20 0.46
HTT P42858 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL22669310 0.83 KMT2A (0.49) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL20999342 0.82 ALDH1A1 (0.47) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL25801914 0.81 MRGPRX4 (0.46) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL19569741 0.79 MRGPRX4 (0.46) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL20974037 0.79 ATF4 (0.56) ALDH1A1HPGDMRGPRX4RAB9ATSHR
SCHEMBL22669451 0.78 KDM4E (0.43) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL19555277 0.78 MRGPRX4 (0.59) ALDH1A1HPGDKDM4EMRGPRX4GLA
SCHEMBL22669316 0.78 HPGD (0.43) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL20999307 0.78 MRGPRX4 (0.39) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL20999692 0.78 HPGD (0.43) ALDH1A1HPGDMEN1KMT2AKDM4E

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-3452456-B1 BICYCLIC MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2023-07-05 EP disclosed