SCHEMBL9239152

SCHEMBL9239152

CCCCCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(C(=O)O)c(-c3ccc(C(=O)OC(C)CCCCCC)c(F)c3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
RARB P10826 4/20 0.39
RARA P10276 2/20 0.39
RARG P13631 1/20 0.39
MCL1 Q07820 1/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PTPN11 Q06124 2/20 0.37
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC22A2 O15244 1/20 0.34
TMPRSS2 O15393 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PLG P00747 1/20 0.34
F12 P00748 1/20 0.34
PLAU P00749 1/20 0.34
PLAT P00750 1/20 0.34
KLKB1 P03952 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
SCHEMBL8908795 0.95 ALDH1A1 (0.50) ALDH1A1RARBRARARARGMCL1
SCHEMBL7789217 0.90 ALDH1A1 (0.46) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL7797614 0.90 ALDH1A1 (0.46) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL9239149 0.90 ALDH1A1 (0.46) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL7797623 0.90 ALDH1A1 (0.46) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL7798766 0.90 ALDH1A1 (0.46) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL7796053 0.90 ALDH1A1 (0.46) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL7789247 0.90 ALDH1A1 (0.46) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL8200970 0.89 ALDH1A1 (0.50) ALDH1A1RARBKMT2ANPC1RAB9A
SCHEMBL8190260 0.89 ALDH1A1 (0.50) ALDH1A1RARBKMT2ANPC1RAB9A

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
JP-7278059-A None JP disclosed
JP-H07278059-A ANTIFERROELECTRIC LIQUID CRYSTAL COMPOUND NIPPON SOKEN INC 1995-10-24 JP disclosed