SCHEMBL9842401

SCHEMBL9842401

CCCCCOc1ccc(-c2c(-c3ccc(F)cc3)ccc(C(=O)O)c2F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.55
RARB P10826 5/20 0.52
RARA P10276 1/20 0.52
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
MCL1 Q07820 1/20 0.47
PLA2G4B P0C869 2/20 0.47
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 1/20 0.45
FAAH O00519 1/20 0.44
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43

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
SCHEMBL9842584 0.99 PTPN11 (0.57) PTPN11RARBRARATP53TSHR
SCHEMBL9842467 0.99 PTPN11 (0.57) PTPN11RARBRARATP53TSHR
SCHEMBL9842537 0.93 RARB (0.48) PTPN11RARBRARAMCL1KDM4E
SCHEMBL9723193 0.87 PTPN11 (0.60) PTPN11RARBRARATP53TSHR
SCHEMBL9406249 0.85 PTPN11 (0.62) PTPN11RARBRARATP53TSHR
SCHEMBL9842605 0.83 RARB (0.58) RARBRARAALDH1A1
SCHEMBL10398215 0.83 PTPN11 (0.53) PTPN11RARBRARATP53TSHR
SCHEMBL9842700 0.82 RARB (0.60) RARBRARAALDH1A1
SCHEMBL9842454 0.82 RARB (0.60) RARBRARAALDH1A1
SCHEMBL9842548 0.82 RARB (0.60) RARBRARAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413785-A1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS. MERCK PATENT GMBH (DE) 1991-02-27 EP disclosed
WO-1990009420-A1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-08-23 WO disclosed