SCHEMBL10936451

SCHEMBL10936451

CC/C=C\CCC1CC=CC1=O

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
CYP19A1 P11511 1/20 0.31
RXRA P19793 1/20 0.31
PPARG P37231 1/20 0.31
OXER1 Q8TDS5 1/20 0.31
GPR84 Q9NQS5 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
SCHEMBL11416457 0.82 AKR1C4 (0.33) ALDH1A1
SCHEMBL10935577 0.82 AKR1C4 (0.33) ALDH1A1
SCHEMBL13236696 0.82 AKR1C4 (0.33) ALDH1A1
SCHEMBL6901472 0.77
SCHEMBL6902657 0.77
SCHEMBL13170733 0.77
SCHEMBL6903173 0.74 NFKB1 (0.37) ALDH1A1MAPTCYP19A1
SCHEMBL6900417 0.73 DNTT (0.36) ALDH1A1CYP19A1PPARG
SCHEMBL6903979 0.71 DNTT (0.39) ALDH1A1CYP19A1PPARG
SCHEMBL6897244 0.71 DNTT (0.39) ALDH1A1CYP19A1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4540825-A REARRANGEMENT OF 4-CYCLOPENTENONES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-09-10 US disclosed