SCHEMBL6563808

SCHEMBL6563808

CCCC(=O)Oc1ccc(C(=O)O)c(-c2ccc(C(=O)O[C@H](C)CC(CC)CC)c(F)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.39
RARA P10276 3/20 0.39
MCL1 Q07820 1/20 0.38
RARG P13631 2/20 0.35
CAMKK1 Q8N5S9 3/20 0.34
CAMKK2 Q96RR4 3/20 0.34
ELANE P08246 1/20 0.33
FFAR4 Q5NUL3 5/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
FFAR1 O14842 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
ALOX15 P16050 1/20 0.32
POLQ O75417 1/20 0.32

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
SCHEMBL6563804 0.83 KMT2A (0.37) ELANEALDH1A1ALOX15
SCHEMBL8908795 0.83 ALDH1A1 (0.50) RARBRARAMCL1RARGALDH1A1
SCHEMBL7604365 0.81 PTPN11 (0.42) RARBRARARARGALDH1A1
SCHEMBL7760864 0.81 RARB (0.45) RARBRARAMCL1RARGLTB4R2
SCHEMBL9239152 0.78 ALDH1A1 (0.46) RARBRARAMCL1RARGALDH1A1
SCHEMBL6547930 0.76 MAPT (0.37) RARBRARACAMKK1CAMKK2ALDH1A1
SCHEMBL9627208 0.76 MCL1 (0.53) RARBRARAMCL1RARGFFAR4
SCHEMBL6563557 0.76 CYP2C9 (0.36) RARBRARARARGCAMKK1CAMKK2
SCHEMBL6547940 0.76 HCRTR1 (0.39) RARBRARAAKR1C3AKR1C2
SCHEMBL6547169 0.76 ALDH1A1 (0.40) ELANEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1225212-B1 Optically active compound and liquid crystal composition containing the compound MITSUBISHI GAS CHEMICAL CO (JP) 2004-03-24 EP disclosed
US-6677475-B2 FOR USE IN LIQUID CRYSTAL DISPLAY DEVICE MITSUBISHI GAS CHEMICAL CO., INC. (JP) 2004-01-13 US disclosed
EP-1225212-A1 Optically active compound and liquid crystal composition containing the compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2002-07-24 EP disclosed