SCHEMBL6522162

SCHEMBL6522162

C=C(C(=O)O)C(CC(=O)OC1CCCC1)(C(=O)O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CYP19A1 P11511 2/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM3 P20309 3/20 0.37
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36

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
SCHEMBL6519436 0.89 CYP19A1 (0.36) CYP19A1ALDH1A1LMNARAB9A
SCHEMBL6522226 0.82 MEN1 (0.39) CYP19A1ALDH1A1LMNARAB9AFABP7
SCHEMBL6523723 0.80 KEAP1 (0.44) KEAP1NFE2L2ALDH1A1LMNACHRM3
SCHEMBL6515804 0.78 KCNN4 (0.41) ALDH1A1LMNA
SCHEMBL6517368 0.77 CYP19A1 (0.38) CYP19A1ALDH1A1
SCHEMBL6517217 0.75 NAAA (0.38) CYP19A1ALDH1A1LMNARAB9A
SCHEMBL6517058 0.75 ALDH1A1 (0.47) ALDH1A1LMNA
SCHEMBL8064662 0.74 CHRM3 (0.46) CYP19A1ALDH1A1LMNARAB9ACYP2D6
SCHEMBL6521091 0.74 CYP2C19 (0.41) CYP19A1ALDH1A1LMNARAB9AFABP7
SCHEMBL6520254 0.73 CYP2C19 (0.41) ALDH1A1CYP3A4CYP2D6

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-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed