SCHEMBL8991930

SCHEMBL8991930

CCC(O)(O)C1C(=O)NC(=O)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
LMNA P02545 3/20 0.40
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL21325326 0.76 HSD17B10 (0.39) HSD17B10LMNATSHR
SCHEMBL112153 0.75 TSHR (0.40) HSD17B10LMNATSHRALDH1A1HTT
SCHEMBL17341046 0.69 TSHR (0.40) HSD17B10LMNATSHRKDM4E
SCHEMBL145905 0.64 TSHR (0.46) HSD17B10LMNATSHRKDM4EALDH1A1
SCHEMBL11795028 0.64 HSD17B10 (0.73) HSD17B10LMNATSHRKDM4EALDH1A1
SCHEMBL9334283 0.61 ALDH1A1 (0.42) HSD17B10LMNATSHRKDM4EALDH1A1
SCHEMBL941641 0.60 TSHR (0.41) HSD17B10LMNATSHRALDH1A1
SCHEMBL367457 0.59 TSHR (0.52) HSD17B10LMNATSHRKDM4EALDH1A1
SCHEMBL133284 0.59 HSD17B10 (0.39) HSD17B10LMNATSHRKDM4E
SCHEMBL17294157 0.59 ALDH1A1 (0.50) HSD17B10LMNATSHRKDM4EALDH1A1

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
EP-0719304-A1 PROCESS FOR THE PRODUCTION OF CYANINE DYES AGFA-GEVAERT N.V. (BE) 1996-07-03 EP disclosed
WO-1995007950-A1 PROCESS FOR THE PRODUCTION OF CYANINE DYES AGFA-GEVAERT NAAMLOZE VENNOOTSCHAP (BE) 1995-03-23 WO disclosed