SCHEMBL9325972

SCHEMBL9325972

CC(=O)OC1CCC=C1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
USP2 O75604 1/20 0.47
CYP3A4 P08684 1/20 0.47
HSD11B1 P28845 1/20 0.43
TAS2R46 P59540 2/20 0.38
POLB P06746 2/20 0.36
CYP19A1 P11511 8/20 0.35
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRM2 P08172 3/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
KMT2A Q03164 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
SCHEMBL9326508 1.00 ALOX15 (0.51) ALOX15TSHRUSP2CYP3A4HSD11B1
SCHEMBL9325975 1.00 ALOX15 (0.51) ALOX15TSHRUSP2CYP3A4HSD11B1
SCHEMBL5074026 0.89 ALOX15 (0.49) ALOX15TSHRUSP2CYP3A4HSD11B1
SCHEMBL15083628 0.82 ALOX15 (0.43) ALOX15TSHRUSP2CYP3A4HSD11B1
SCHEMBL7226012 0.80 ALOX15 (0.40) ALOX15TSHRUSP2CYP3A4HSD11B1
SCHEMBL9325970 0.79 CHRM2 (0.36) ALOX15TSHRUSP2CYP3A4CYP19A1
SCHEMBL9326863 0.79 CHRM2 (0.36) ALOX15TSHRUSP2CYP3A4CYP19A1
SCHEMBL9326867 0.79 CHRM2 (0.36) ALOX15TSHRUSP2CYP3A4CYP19A1
SCHEMBL7231451 0.77 ALOX15 (0.38) ALOX15TSHRUSP2CYP3A4HSD11B1
SCHEMBL9325971 0.77 NAAA (0.39) ALOX15TSHRCYP19A1ALDH1A1MEN1

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