SCHEMBL9149334

SCHEMBL9149334

CCCCCCCCOc1ccc(-c2ccc(C(C)=O)cc2)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.60
THRA P10827 1/20 0.58
THRB P10828 1/20 0.58
RARB P10826 3/20 0.50
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50
ATM Q13315 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
GAA P10253 1/20 0.48
SMPD1 P17405 3/20 0.47
S1PR1 P21453 2/20 0.47
S1PR2 O95136 1/20 0.46
S1PR3 Q99500 1/20 0.46
LPAR2 Q9HBW0 1/20 0.46

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
SCHEMBL16593006 0.91 CSNK2A1 (0.49) PTPN11THRATHRBATMHPGD
SCHEMBL9437162 0.90 PTPN11 (0.74) PTPN11THRATHRBRARBPTPN1
SCHEMBL9626774 0.90 PTPN11 (0.74) PTPN11THRATHRBRARBPTPN1
SCHEMBL9437159 0.90 PTPN11 (0.60) PTPN11THRATHRBRARBPTPN1
SCHEMBL9399929 0.86 THRA (0.53) PTPN11THRATHRBPTPN1PTPN6
SCHEMBL9398890 0.86 THRA (0.53) PTPN11THRATHRBPTPN1PTPN6
SCHEMBL9145276 0.85 CREBBP (0.55) ALDH1A1GAA
SCHEMBL9154559 0.84 PTPN11 (0.60) PTPN11THRATHRBRARBPTPN1
SCHEMBL10338888 0.84 PTPN11 (0.54) PTPN11THRATHRBRARBPTPN1
SCHEMBL5339778 0.84 PTPN11 (0.66) PTPN11THRATHRBRARBS1PR1

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