SCHEMBL21044459

SCHEMBL21044459

COC(=O)c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(=O)OC)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.47
MAPT P10636 3/20 0.47
CFTR P13569 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RXRA P19793 5/20 0.44
RXRB P28702 5/20 0.44
RXRG P48443 4/20 0.44
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
F2RL3 Q96RI0 1/20 0.42
CES2 O00748 1/20 0.40

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
SCHEMBL21044587 0.90 NOTUM (0.53) NOTUMMAPTCFTRSMN1; SMN2KDM4E
SCHEMBL9034755 0.84 MAPK1 (0.48) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL18002991 0.81 MAPT (0.42) NOTUMMAPTCFTRSMN1; SMN2KDM4E
SCHEMBL16303300 0.80 NOTUM (0.47) NOTUMMAPTCFTRSMN1; SMN2KDM4E
SCHEMBL8613485 0.79 NOTUM (0.63) NOTUMMAPTCFTRKDM4EALDH1A1
SCHEMBL15832435 0.79 MAPT (0.56) NOTUMMAPTCFTRSMN1; SMN2KDM4E
SCHEMBL19182234 0.79 RXRA (0.58) SMN1; SMN2ALDH1A1RXRARXRBRXRG
SCHEMBL2088462 0.79 CFTR (0.53) NOTUMMAPTCFTRSMN1; SMN2KDM4E
SCHEMBL16505957 0.79 NOTUM (0.46) NOTUMMAPTCFTRSMN1; SMN2KDM4E
SCHEMBL30261881 0.79 NOTUM (0.46) NOTUMMAPTCFTRSMN1; SMN2KDM4E

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-3191451-B1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INST SCIENCE & TECH SCHOOL CORP (JP) 2019-06-05 EP claimed