SCHEMBL7735868

SCHEMBL7735868

COC(=O)CCc1ccc(OCC(C)C)c(-c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.58
AKR1C3 P42330 1/20 0.49
KMT2A Q03164 1/20 0.44
TP53 P04637 3/20 0.42
MDM2 Q00987 3/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
BCL2L1 Q07817 1/20 0.42
MCL1 Q07820 1/20 0.42
ADRB3 P13945 1/20 0.41
S1PR1 P21453 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40

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
SCHEMBL7725129 0.93 PTPN1 (0.51) PTPN1AKR1C3KMT2ATP53MDM2
SCHEMBL7734883 0.89 TP53 (0.52) AKR1C3TP53MDM2PTGDR2BCL2L1
SCHEMBL7735390 0.87 PTPN1 (0.55) PTPN1TP53ADRB2ADRB1ADRB3
SCHEMBL7734077 0.84 PPARD (0.47) AKR1C3TP53MDM2PTGDR2BCL2L1
SCHEMBL7725111 0.83 PTPN1 (0.56) PTPN1AKR1C3PTGDR2
SCHEMBL7735881 0.83 PTPN1 (0.56) PTPN1KMT2ATP53MDM2PTGDR2
SCHEMBL27403097 0.83 PTPN1 (0.56) PTPN1KMT2APTGDR2
SCHEMBL7735299 0.83 PTPN1 (0.48) PTPN1KMT2APTGDR2
SCHEMBL27428215 0.83 PTPN1 (0.53) PTPN1AKR1C3KMT2APTGDR2
SCHEMBL7734899 0.82 PTPN1 (0.55) PTPN1AKR1C3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1103332-C Biphenyl-5-alkanoic acid derivs. and use thereof ASAHI CHEMICAL IND (JP) 2003-03-19 CN disclosed
US-6376546-B1 ANTIALLERGENS ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-04-23 US disclosed
CN-1276778-A Biphenyl-5-alkanoic acid derivs. and use thereof ASAHI CHEMICAL IND (JP) 2000-12-13 CN disclosed
EP-1024130-A1 BIPHENYL-5-ALKANOIC ACID DERIVATIVES AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-08-02 EP disclosed