SCHEMBL9062630

SCHEMBL9062630

CCCCCCCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)OC(CCCCCC)C(F)(F)F)cc3)cc2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 3/20 0.48
▸ THRA P10827 2/20 0.47
▸ THRB P10828 2/20 0.47
▸ PLA2G2D Q9UNK4 1/20 0.43
▸ S1PR1 P21453 3/20 0.42
▸ PTPN1 P18031 1/20 0.41
▸ PTPN6 P29350 1/20 0.41
▸ S1PR4 O95977 2/20 0.41
▸ S1PR3 Q99500 2/20 0.41
▸ S1PR5 Q9H228 2/20 0.41
▸ RARB P10826 3/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ PLA2G2A P14555 1/20 0.40
▸ SMPD1 P17405 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 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
SCHEMBL9062392 1.00 PTPN11 (0.48) PTPN11THRATHRBPLA2G2DS1PR1
SCHEMBL9062805 1.00 PTPN11 (0.48) PTPN11THRATHRBPLA2G2DS1PR1
SCHEMBL9647550 0.94 PTPN11 (0.44) PTPN11THRATHRBPLA2G2DS1PR1
SCHEMBL9647578 0.94 PTPN11 (0.44) PTPN11THRATHRBPLA2G2DS1PR1
SCHEMBL9396411 0.90 PTPN11 (0.41) PTPN11THRATHRBPLA2G2DS1PR1
SCHEMBL9218434 0.89 PTPN11 (0.43) PTPN11THRATHRBPLA2G2DS1PR1
SCHEMBL9440286 0.89 PTPN11 (0.43) PTPN11THRATHRBPLA2G2DS1PR1
SCHEMBL9224274 0.89 PTPN11 (0.43) PTPN11THRATHRBPLA2G2DS1PR1
SCHEMBL9440528 0.89 PTPN11 (0.43) PTPN11THRATHRBPLA2G2DS1PR1
SCHEMBL9227237 0.88 RARB (0.44) PTPN11THRATHRBRARB

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-0637624-B1 Antiferroelectric liquid crystal compound SHOWA SHELL SEKIYU (JP) 1996-09-25 — — EP disclosed
US-5417885-A Antiferroelectric liquid crystal compound SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) 1995-05-23 — — US disclosed
EP-0637624-A1 Antiferroelectric liquid crystal compound Showa Shell Sekiyu Kabushiki Kaisha (JP) 1995-02-08 — — EP disclosed
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