SCHEMBL7607791

SCHEMBL7607791

CCCCCCCCCC(=O)Oc1ccc(-c2ccc(C(=O)O)cc2-c2ccc(C(=O)O[C@H](C)CCC(C)C)c(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.42
RARB P10826 9/20 0.41
ALDH1A1 P00352 1/20 0.39
RARA P10276 2/20 0.37
RARG P13631 1/20 0.37
PPARD Q03181 3/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARA Q07869 2/20 0.35
PPARG P37231 1/20 0.35
TP53 P04637 1/20 0.34
TSHR P16473 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
SCHEMBL7609619 1.00 PTPN11 (0.42) PTPN11RARBALDH1A1RARARARG
SCHEMBL7612619 0.96 PTPN11 (0.42) PTPN11RARBALDH1A1RARARARG
SCHEMBL7604192 0.94 PTPN11 (0.44) PTPN11RARBALDH1A1RARARARG
SCHEMBL7604365 0.90 PTPN11 (0.42) PTPN11RARBALDH1A1RARARARG
SCHEMBL7608374 0.90 PTPN11 (0.45) PTPN11RARBALDH1A1NPC1RAB9A
SCHEMBL6933625 0.86 PTPN11 (0.51) PTPN11RARBALDH1A1RARATP53
SCHEMBL8032659 0.85 KMT2A (0.38) RARBALDH1A1RARARARGNPC1
SCHEMBL6939274 0.84 PTPN11 (0.54) PTPN11RARBRARATP53TSHR
SCHEMBL6936277 0.84 PTPN11 (0.54) PTPN11RARBRARATP53TSHR
SCHEMBL8099107 0.83 PTPN11 (0.41) PTPN11RARBRARARARGPPARD

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-0974636-B1 Ferrielectric liquid crystal compound MITSUBISHI GAS CHEMICAL CO (JP) 2002-05-29 EP disclosed
US-6197389-B1 AROMATIC ESTER COMPOUNDS HIGH SPEED RESPONSE IN SPITE OF A SMALL SPONTANEOUS POLARIZATION, MITSUBISHI GAS CHEMICAL COMPANY INC (JP) 2001-03-06 US disclosed
EP-0974636-A1 Ferrielectric liquid crystal compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2000-01-26 EP disclosed