SCHEMBL28053356

SCHEMBL28053356

CCCCCCCCCCCCc1ccc2ccccc2c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.47
KDM4E B2RXH2 5/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 4/20 0.43
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GCGR P47871 2/20 0.43
LIPG Q9Y5X9 1/20 0.42
GPR84 Q9NQS5 1/20 0.41
NPC1 O15118 3/20 0.40
HTT P42858 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40

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
SCHEMBL28091048 1.00 DHFR (0.47) DHFRKDM4EMAPTALDH1A1GAA
SCHEMBL28226794 1.00 DHFR (0.47) DHFRKDM4EMAPTALDH1A1GAA
Phosphine SCHEMBL28240083 0.98 DHFR (0.46) DHFRKDM4EMAPTALDH1A1GAA
SCHEMBL6058808 0.98 DHFR (0.44) DHFRKDM4EMAPTALDH1A1GAA
SCHEMBL30576683 0.94 ESR1 (0.42) DHFRGAAGCGRTLR8
SCHEMBL28184786 0.91 DHFR (0.42) DHFRKDM4EMAPTALDH1A1GAA
SCHEMBL3674710 0.90 LIPG (0.47) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL16671703 0.89 TLR8 (0.45) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL1537098 0.87 GPR84 (0.43) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL4443733 0.87 MAPT (0.42) KDM4EMAPTALDH1A1GAAHPGD

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
CN-105339473-A Polyfunctional lubricant composition ADEKA CORP 2016-02-17 CN disclosed