SCHEMBL11219166

SCHEMBL11219166

CCCCc1ccc(-c2cc(OC3CCCCO3)ccc2C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.43
RARB P10826 7/20 0.42
RARA P10276 2/20 0.41
RARG P13631 1/20 0.41
PTPN11 Q06124 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.39
EIF4A1 P60842 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL1531817 0.83 S1PR1 (0.37) PTPN11MEN1KMT2A
SCHEMBL1531814 0.83 S1PR1 (0.37) PTPN11MEN1KMT2A
SCHEMBL28387481 0.80 MEN1 (0.53) RARBRARARARGPTPN11MEN1
SCHEMBL15654560 0.79 MEN1 (0.47) MEN1KMT2ANPC1HPGDRAB9A
SCHEMBL11543260 0.77 EIF4A1 (0.55) BRS3RARBRARARARGPTPN11
SCHEMBL5702447 0.77 NPC1 (0.49) KMT2ANPC1TP53HPGDRAB9A
SCHEMBL11219164 0.76 SMN1; SMN2 (0.44) MEN1KMT2ANPC1TP53HPGD
SCHEMBL20523032 0.76 THRA (0.43) MEN1KMT2ANPC1TP53HPGD
SCHEMBL9501744 0.75 PTPN11 (0.64) RARBRARARARGPTPN11
SCHEMBL21499745 0.75 MEN1 (0.45) RARBRARAMEN1KMT2A

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-57002241-A None JP disclosed
JP-S572241-A PREPARATION OF DIESTER TYPE LIQUID CRYSTAL HITACHI LTD 1982-01-07 JP disclosed