SCHEMBL8998568

SCHEMBL8998568

C/C(=C\CO)CCC(C)C

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.64
ALOX15 P16050 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
CYP3A4 P08684 2/20 0.50
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.48
UGT1A1 P22309 1/20 0.48
KDM1A O60341 1/20 0.39
CA1 P00915 2/20 0.37
KDM4E B2RXH2 1/20 0.33
SQLE Q14534 3/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL8998581 1.00 PTPN1 (0.64) PTPN1ALOX15KMT2AMEN1CYP3A4
SCHEMBL163911 0.86 PTPN1 (0.85) PTPN1ALOX15KMT2AMEN1CYP3A4
SCHEMBL163912 0.86 PTPN1 (0.85) PTPN1ALOX15KMT2AMEN1CYP3A4
Phytol SCHEMBL23760328 0.83 PTPN1 (0.86) PTPN1ALOX15KMT2AMEN1CYP3A4
SCHEMBL2009730 0.80 PTPN1 (0.44) PTPN1ALOX15KMT2AMEN1CYP3A4
SCHEMBL2009731 0.80 PTPN1 (0.44) PTPN1ALOX15KMT2AMEN1CYP3A4
Trans-Phytol SCHEMBL17962948 0.79 PTPN1 (1.00) PTPN1ALOX15KMT2AMEN1CYP3A4
SCHEMBL8082844 0.79 PTPN1 (0.73) PTPN1ALOX15KMT2AMEN1CYP3A4
Trans-Phytol SCHEMBL16367020 0.79 PTPN1 (1.00) PTPN1ALOX15KMT2AMEN1CYP3A4
SCHEMBL9474828 0.79 PTPN1 (0.73) PTPN1ALOX15KMT2AMEN1CYP3A4

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-0258967-B2 Process for producing optically active alcohols TAKASAGO PERFUMERY CO LTD (JP) 1996-08-21 EP disclosed
US-4962242-A HYDROGENATING OLEFINIC ALCOHOL USING AS CATALYST A RUTHENIUM-OPTICALLY ACTIVE PHOSPHINE COMPLEX TAKASAGO PERFUMERY CO., LTD. (JP) 1990-10-09 US disclosed
EP-0258967-A2 Process for producing optically active alcohols Takasago Perfumery Co., Ltd. (JP) 1988-03-09 EP disclosed