SCHEMBL9570803

SCHEMBL9570803

CCCCCCOC(=O)CCc1ccc(C=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
P2RY10 O00398 4/20 0.48
TDP1 Q9NUW8 1/20 0.47
NAAA Q02083 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR2C P28335 1/20 0.46
GPR174 Q9BXC1 3/20 0.44
CYP4Z1 Q86W10 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL6783435 0.88 CYP4F2 (0.49) DGKACYP4F2CYP4A11P2RY10TDP1
SCHEMBL2728741 0.84 ESR1 (0.57) DGKACYP4F2CYP4A11P2RY10TDP1
SCHEMBL10892112 0.84 ESR1 (0.57) DGKACYP4F2CYP4A11P2RY10TDP1
SCHEMBL349384 0.84 CYP4F2 (0.70) CYP4F2CYP4A11TDP1LMNAMAPT
SCHEMBL7636074 0.82 TDP1 (0.72) DGKAP2RY10TDP1NAAAALDH1A1
SCHEMBL19066804 0.82 TDP1 (0.72) DGKAP2RY10TDP1NAAAALDH1A1
SCHEMBL7279461 0.82 CYP4F2 (0.59) CYP4F2CYP4A11P2RY10LMNAGPR174
SCHEMBL9570824 0.82 TP53 (0.61) ALDH1A1MAPTTSHR
SCHEMBL19920977 0.81 TDP1 (0.74) DGKAP2RY10TDP1ALDH1A1LMNA
SCHEMBL18843960 0.79 TDP1 (0.56) DGKACYP4F2CYP4A11P2RY10TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5294896-A None JP disclosed
JP-H05294896-A OPTICALLY ACTIVE AROMATIC GROUP-SUBSTITUTED ALKANOIC ACID ESTER DERIVATIVE AND ITS PRODUCTION HITACHI CHEM CO LTD 1993-11-09 JP disclosed