SCHEMBL6522166

SCHEMBL6522166

O=C(CC(C(=O)O)C(=Cc1ccccc1)C(=O)O)OC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.38
ALDH1A1 P00352 5/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 3/20 0.36
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36
CACNA1B Q00975 1/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2C19 P33261 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
CYP1A2 P05177 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
CHRM2 P08172 1/20 0.33

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
SCHEMBL6519442 0.89 CYP19A1 (0.36) CYP19A1ALDH1A1LMNARAB9ACACNA1B
SCHEMBL6522227 0.82 MEN1 (0.41) CYP19A1ALDH1A1LMNARAB9AKDM4E
SCHEMBL6523728 0.80 HPGD (0.38) ALDH1A1LMNARAB9AKDM4EHPGD
SCHEMBL6520318 0.79 NAAA (0.41) CYP19A1ALDH1A1KDM4ECACNA1BHPGD
SCHEMBL6515807 0.78 AKR1C3 (0.42) ALDH1A1CYP3A4HTT
SCHEMBL6513730 0.77 GRIK1 (0.43) CYP19A1CYP2C19HTT
SCHEMBL6517374 0.77 CYP19A1 (0.38) CYP19A1ALDH1A1CYP3A4HTT
SCHEMBL6523832 0.76 GRIK1 (0.44) CYP19A1ALDH1A1LMNARAB9ACYP2C19
SCHEMBL6519189 0.76 GRIK1 (0.44) CYP19A1ALDH1A1LMNARAB9ACYP2C19
SCHEMBL6517062 0.75 ALDH1A1 (0.47) ALDH1A1LMNACYP3A4TDP1

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