SCHEMBL9440441

SCHEMBL9440441

CCCCCCC(C)C(=O)c1ccc(-c2ccccc2)cc1.CCCCCCCCC(=O)Oc1ccc(C(=O)O)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.43
PLA2G2A P14555 1/20 0.43
PPARG P37231 2/20 0.41
PPARA Q07869 1/20 0.41
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
RARB P10826 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX15 P16050 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38

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
SCHEMBL9440067 0.89 PTPN11 (0.54) PTPN11PLA2G2ATHRATHRBRARB
SCHEMBL9717297 0.85 RARB (0.50) RARBKDM4EMEN1RECQLKMT2A
SCHEMBL9717294 0.85 RARB (0.50) RARBKDM4EMEN1RECQLKMT2A
SCHEMBL9717226 0.85 RARB (0.50) RARBKDM4EMEN1RECQLKMT2A
SCHEMBL9717217 0.85 RARB (0.50) RARBKDM4EMEN1RECQLKMT2A
SCHEMBL9440210 0.84 THRA (0.53) PTPN11PLA2G2ATHRATHRBRARB
SCHEMBL9724879 0.84 KDM4E (0.61) PTPN11PPARGPPARARARBKDM4E
Hydrochloric Acid SCHEMBL9724775 0.83 THRA (0.52) PTPN11PLA2G2ATHRATHRBKDM4E
SCHEMBL9617197 0.81 PTPN11 (0.45) PTPN11RARBMEN1KMT2AMAPT
SCHEMBL9717228 0.80 NPC1 (0.51) RARBMEN1KMT2AMAPTPOLB

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-0341686-B1 Novel halogen-containing ester compounds, and their intermediates, and method of producing the same as well as liquid crystal compositions containing the same and light switching elements JAPAN ENERGY CORP (JP) 1994-08-17 EP disclosed
US-5098602-A Aromatic ester derivatives and fluorophenol ketones NIPPON MINING CO., LTD. (JP) 1992-03-24 US disclosed
EP-0341686-A2 Novel halogen-containing ester compounds, and their intermediates, and method of producing the same as well as liquid crystal compositions containing the same and light switching elements JAPAN ENERGY CORPORATION (JP) 1989-11-15 EP disclosed