SCHEMBL8701337

SCHEMBL8701337

CCC=CC1(C)C(C=O)=CC=CC1CCC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
CYP19A1 P11511 2/20 0.32
RXRA P19793 2/20 0.32
PPARG P37231 2/20 0.32
OXER1 Q8TDS5 2/20 0.32
FFAR1 O14842 1/20 0.32
MAPT P10636 1/20 0.32
F7 P08709 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
F3 P13726 1/20 0.31
PTGS1 P23219 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL8701204 0.84 ALDH1A1 (0.33) ALDH1A1CYP19A1RXRAPPARGOXER1
SCHEMBL8694882 0.82 ALDH1A1 (0.32) ALDH1A1CYP19A1RXRAPPARGOXER1
SCHEMBL27922015 0.64
SCHEMBL38660196 0.61 LMNA (0.32)
SCHEMBL10966177 0.55 LMNA (0.33)
SCHEMBL6850712 0.55 FFAR4 (0.30)
Propionic Acid SCHEMBL28116173 0.53 FFAR3 (0.67) ALDH1A1CYP19A1RXRAPPARGOXER1
Butyric Acid SCHEMBL27973198 0.52 FFAR3 (0.72) ALDH1A1CYP19A1RXRAPPARGOXER1
Butyric Acid SCHEMBL27921313 0.52 FFAR3 (0.72) ALDH1A1CYP19A1RXRAPPARGOXER1
Propionic Acid SCHEMBL31243331 0.52 ALDH1A1 (0.54) ALDH1A1CYP19A1RXRAPPARGOXER1

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-5827868-A Prostaglandin analogs E. R. SQUIBB & SONS, INC. (US) 1998-10-27 US disclosed