SCHEMBL9842423

SCHEMBL9842423

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.38
RARA P10276 2/20 0.37
RARG P13631 1/20 0.37
LTB4R2 Q9NPC1 4/20 0.37
PTPN11 Q06124 1/20 0.35
MPL P40238 3/20 0.35
PTGER4 P35408 1/20 0.34
LTB4R Q15722 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9842561 0.99 RARB (0.39) RARBRARARARGLTB4R2PTPN11
SCHEMBL9842752 0.97 LTB4R2 (0.37) RARBRARARARGLTB4R2MPL
SCHEMBL9842443 0.92 CYP2C9 (0.39) RARBRARARARGLTB4R2MPL
SCHEMBL9842361 0.87 RARB (0.38) RARBRARARARGLTB4R2MEN1
SCHEMBL9842351 0.85 RARB (0.40) RARBRARARARGLTB4R2PTPN11
SCHEMBL9842647 0.84 PTPN11 (0.40) RARBRARARARGLTB4R2PTPN11
SCHEMBL9842498 0.83 PTPN11 (0.41) RARBRARARARGLTB4R2PTPN11
SCHEMBL9842573 0.83 RARB (0.40) RARBRARARARGLTB4R2PTPN11
SCHEMBL9842441 0.81 KDM4E (0.36) LTB4R2LTB4RMEN1MAPTKMT2A
SCHEMBL9842678 0.80 RARA (0.35) RARBRARALTB4R2PTPN11LTB4R

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