SCHEMBL10575641

SCHEMBL10575641

CCOC=C(C(=O)O)C(=O)c1cc(F)c(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 2/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TSHR P16473 2/20 0.35

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
SCHEMBL10575631 1.00 POLB (0.39) POLBAPEX1CYP1A2CYP2C19HPGD
SCHEMBL10742482 0.93 CYP1A2 (0.33) POLBAPEX1CYP1A2CYP2C19HPGD
SCHEMBL10742485 0.93 CYP1A2 (0.33) POLBAPEX1CYP1A2CYP2C19HPGD
SCHEMBL263121 0.88 CYP1A2 (0.41) POLBAPEX1CYP1A2CYP2C19HPGD
SCHEMBL263120 0.88 CYP1A2 (0.41) POLBAPEX1CYP1A2CYP2C19HPGD
SCHEMBL9591881 0.87 MEN1 (0.32) CYP1A2CYP2C19HPGDMAPTLMNA
SCHEMBL10891380 0.87 MEN1 (0.32) CYP1A2CYP2C19HPGDMAPTLMNA
SCHEMBL9591875 0.87 MEN1 (0.32) CYP1A2CYP2C19HPGDMAPTLMNA
SCHEMBL10592409 0.86 GAA (0.41) POLBAPEX1CYP1A2CYP2C19HPGD
SCHEMBL10592997 0.86 GAA (0.41) POLBAPEX1CYP1A2CYP2C19HPGD

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
US-4833270-A Process for preparing 2-chloro-4,5-difluorobenzoic acid AMERICAN CYANAMID COMPANY (US) 1989-05-23 US disclosed