SCHEMBL11512609

SCHEMBL11512609

CC(=O)Oc1nc2c(C)cccc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 2/20 0.42
ELANE P08246 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
CEPT1 Q9Y6K0 1/20 0.40
F2RL3 Q96RI0 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.36
FBP1 P09467 1/20 0.36
PTPN1 P18031 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL28661658 0.84 CEPT1 (0.41) AGPAT2ELANEKDM4EHSD17B10ALDH1A1
SCHEMBL28892605 0.78 ELANE (0.49) AGPAT2ELANECEPT1F2RL3FBP1
SCHEMBL5469722 0.76 ALDH1A1 (0.49) KDM4EHSD17B10ALDH1A1HPGDNPC1
SCHEMBL7389732 0.73 KDM4E (0.35) KDM4EHSD17B10ALDH1A1HPGDRAB9A
SCHEMBL3817775 0.72 AGPAT2 (0.41) AGPAT2ELANEKDM4EHSD17B10ALDH1A1
SCHEMBL3614007 0.71 AGPAT2 (0.41) AGPAT2ELANEKDM4EHSD17B10ALDH1A1
SCHEMBL5537231 0.70 ELANE (0.61) AGPAT2ELANEKDM4EALDH1A1F2RL3
SCHEMBL3614010 0.70 AGPAT2 (0.40) AGPAT2ELANEHSD17B10CEPT1F2RL3
SCHEMBL3616211 0.70 CYP1A2 (0.49) KDM4EHSD17B10ALDH1A1HPGDCEPT1
Ammonia Solution, Strong SCHEMBL28600968 0.69 ELANE (0.59) AGPAT2ELANEKDM4EALDH1A1F2RL3

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-4146712-A PROCESS FOR THE MANUFACTURE OF COUMARIN DYES CIBA-GEIGY CORPORATION (US) 1979-03-27 US disclosed