SCHEMBL11599447

SCHEMBL11599447

CCC(O)CC(Cc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.63
▸ SLC1A3 P43003 1/20 0.60
▸ SLC1A2 P43004 1/20 0.60
▸ SLC1A1 P43005 1/20 0.60
▸ CPA1 P15085 6/20 0.56
▸ CPA3 P15088 3/20 0.56
▸ FOLH1 Q04609 2/20 0.56
▸ CPB1 P15086 1/20 0.56
▸ CPB2 Q96IY4 1/20 0.56
▸ NAALAD2 Q9Y3Q0 1/20 0.55
▸ PPARG P37231 1/20 0.55

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
SCHEMBL13535261 0.88 MAPT (0.52) CYP1A2SLC1A3SLC1A2SLC1A1CPA1
SCHEMBL7439697 0.85 CYP1A2 (0.86) CYP1A2SLC1A3SLC1A2SLC1A1CPA1
SCHEMBL7432418 0.85 CYP1A2 (0.86) CYP1A2SLC1A3SLC1A2SLC1A1CPA1
SCHEMBL9622038 0.85 CYP1A2 (0.86) CYP1A2SLC1A3SLC1A2SLC1A1CPA1
SCHEMBL13535263 0.84 MAPT (0.52) CYP1A2PPARG
SCHEMBL265514 0.83 CYP1A2 (0.83) CYP1A2SLC1A3SLC1A2SLC1A1CPA1
SCHEMBL491524 0.83 CYP1A2 (0.83) CYP1A2SLC1A3SLC1A2SLC1A1CPA1
SCHEMBL265063 0.83 CYP1A2 (0.83) CYP1A2SLC1A3SLC1A2SLC1A1CPA1
SCHEMBL9297390 0.82 PPARG (0.61) PPARG
SCHEMBL7382556 0.81 CYP1A2 (0.61) CYP1A2SLC1A3SLC1A2SLC1A1CPA1

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-4070500-A KETONE RESIN, EXTENDER MILLMASTER ONYX CORPORATION (US) 1978-01-24 — — US disclosed
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