SCHEMBL26189986

SCHEMBL26189986

CCC(C)(Oc1ccc(C(C)C)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.48
ALDH1A1 P00352 3/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
ADORA3 P0DMS8 2/20 0.40
PPARA Q07869 5/20 0.39
PPARG P37231 4/20 0.39
PPARD Q03181 1/20 0.39
ABCB11 O95342 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
HTR2A P28223 2/20 0.39
PMP22 Q01453 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 5/20 0.38
NPC1 O15118 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38

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
SCHEMBL10182459 0.89 ALDH1A1 (0.48) OPRK1ALDH1A1ADORA3PPARAPPARG
SCHEMBL25723402 0.84 OPRK1 (0.40) OPRK1ADORA3PPARAPPARGABCB11
SCHEMBL26229482 0.83 OPRK1 (0.39) OPRK1ALDH1A1ADORA3PPARAPPARG
SCHEMBL25685772 0.80 OPRK1 (0.39) OPRK1ADORA3PPARAPPARGABCB11
SCHEMBL11071169 0.79 OPRK1 (0.76) OPRK1ALDH1A1ADORA3PPARAPPARG
SCHEMBL19266891 0.78 OPRK1 (0.56) OPRK1ALDH1A1RXRARXRBPPARA
SCHEMBL13866395 0.75 PPARG (0.48) ALDH1A1RXRARXRBADORA3PPARA
SCHEMBL23902983 0.74 HPGD (0.41) OPRK1ALDH1A1RXRARXRBADORA3
SCHEMBL20099740 0.72 AAK1 (0.35) OPRK1ALDH1A1CYP3A4TSHRMEN1
SCHEMBL17402207 0.72 ALDH1A1 (0.41) ALDH1A1RXRARXRBPPARAPPARG

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-11747727-B2 Chemical liquid, chemical liquid storage body, pattern forming method, and kit FUJIFILM CORPORATION (JP) 2023-09-05 US disclosed