SCHEMBL9149296

SCHEMBL9149296

CCCCCCCCOC(=O)c1ccc(-c2ccc(OCCCCC[C@@H](C)CC)c(F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.48
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ESR1 P03372 1/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
STS P08842 5/20 0.42
SMPD1 P17405 1/20 0.41

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
SCHEMBL9146241 1.00 PTPN11 (0.48) PTPN11THRATHRBNPC1MAPT
SCHEMBL9145185 1.00 PTPN11 (0.48) PTPN11THRATHRBNPC1MAPT
SCHEMBL10526219 0.94 MAPT (0.47) PTPN11THRATHRBNPC1MAPT
SCHEMBL9148876 0.91 MAPT (0.47) PTPN11THRATHRBNPC1MAPT
SCHEMBL10526577 0.88 NPC1 (0.49) PTPN11THRATHRBNPC1MAPT
SCHEMBL10526226 0.88 NPC1 (0.49) PTPN11THRATHRBNPC1MAPT
SCHEMBL10526347 0.88 NPC1 (0.49) PTPN11THRATHRBNPC1MAPT
SCHEMBL10455791 0.88 THRA (0.55) PTPN11THRATHRB
SCHEMBL9150013 0.86 PTPN11 (0.56) PTPN11THRATHRBRAB9AALDH1A1
SCHEMBL9152800 0.86 PTPN11 (0.45) PTPN11THRATHRB

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
US-5397504-A Liquid crystal KANTO KAGAKU KABUSHIKI KAISHA (JP) 1995-03-14 US disclosed
EP-0315701-B1 BIPHENYL COMPOUND KANTO KAGAKU (JP) 1993-12-29 EP disclosed
EP-0315701-A1 BIPHENYL COMPOUND KANTO KAGAKU KABUSHIKI KAISHA (JP) 1989-05-17 EP disclosed