SCHEMBL9842573

SCHEMBL9842573

CCCCO[C@H]1CC[C@H](c2c(-c3ccc(F)cc3)ccc(C(=O)O)c2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.40
RARA P10276 3/20 0.40
LIPC P11150 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
PTPN11 Q06124 2/20 0.38
LTB4R2 Q9NPC1 8/20 0.38
MCL1 Q07820 1/20 0.37
LTB4R Q15722 5/20 0.36
RARG P13631 2/20 0.35
FFAR4 Q5NUL3 1/20 0.34
LSS P48449 1/20 0.34

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
SCHEMBL9842647 0.97 PTPN11 (0.40) RARBRARALIPCLIPGPTPN11
SCHEMBL9842498 0.96 PTPN11 (0.41) RARBRARALIPCLIPGPTPN11
SCHEMBL9842678 0.94 RARA (0.35) RARBRARAPTPN11LTB4R2LTB4R
SCHEMBL9842441 0.90 KDM4E (0.36) LTB4R2LTB4R
SCHEMBL9842752 0.84 LTB4R2 (0.37) RARBRARALTB4R2LTB4RRARG
SCHEMBL9842423 0.83 RARB (0.38) RARBRARAPTPN11LTB4R2LTB4R
SCHEMBL9842561 0.82 RARB (0.39) RARBRARAPTPN11LTB4R2RARG
SCHEMBL9842443 0.81 CYP2C9 (0.39) RARBRARALTB4R2LTB4RRARG
SCHEMBL9842723 0.81 TTR (0.44) RARBRARALIPCLIPGLTB4R2
SCHEMBL9842253 0.78 KDM4E (0.43) RARBRARAPTPN11LTB4R2MCL1

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