SCHEMBL9325970

SCHEMBL9325970

CCC(=O)O[C@H]1CCC=C1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
ALOX15 P16050 2/20 0.35
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
CYP19A1 P11511 2/20 0.34
USP2 O75604 1/20 0.33
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
NAAA Q02083 2/20 0.31
PTPN1 P18031 1/20 0.31
BCHE P06276 1/20 0.30
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL9326863 1.00 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3ALOX15
SCHEMBL9326867 1.00 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3ALOX15
SCHEMBL9325971 0.86 NAAA (0.39) ALOX15ALDH1A1LMNATSHRCYP19A1
SCHEMBL9325977 0.86 NAAA (0.39) ALOX15ALDH1A1LMNATSHRCYP19A1
SCHEMBL9325974 0.86 NAAA (0.39) ALOX15ALDH1A1LMNATSHRCYP19A1
SCHEMBL9848760 0.82 NAAA (0.54) CYP19A1NAAA
SCHEMBL9325987 0.82 NAAA (0.54) CYP19A1NAAA
SCHEMBL9836376 0.82 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3ALOX15
SCHEMBL9325980 0.81 NAAA (0.56) CYP19A1NAAA
SCHEMBL9325909 0.81 NAAA (0.56) CYP19A1NAAA

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-0414453-B1 Optically active cyclopentenols and process for preparing the same CHISSO CORP (JP) 1994-02-23 EP disclosed
US-5107039-A Intermediates for asymmetric synthesis of steroids and alkaloids CHISSO CORPORATION (JP) 1992-04-21 US disclosed
EP-0414453-A1 Optically active cyclopentenols and process for preparing the same Chisso Corporation (JP) 1991-02-27 EP disclosed