SCHEMBL9504215

SCHEMBL9504215

CCCCCCCCCCC(C)c1cccc(C(=O)O)c1O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
SLC37A4 O43826 1/20 0.46
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
BID P55957 1/20 0.40
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
BAK1 Q16611 1/20 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
SCHEMBL9615354 1.00 ALDH1A1 (0.52) ALDH1A1SLC37A4KDM4EHPGDHSD17B10
SCHEMBL9502958 1.00 ALDH1A1 (0.52) ALDH1A1SLC37A4KDM4EHPGDHSD17B10
SCHEMBL11771866 0.88 ALDH1A1 (0.50) ALDH1A1SLC37A4KDM4EHPGDHSD17B10
SCHEMBL28791579 0.88 ALDH1A1 (0.47) ALDH1A1SLC37A4KDM4EHPGDHSD17B10
SCHEMBL11306065 0.87 ALDH1A1 (0.42) ALDH1A1SLC37A4PRSS1PRSS2PRSS3
SCHEMBL5453793 0.87 ALDH1A1 (0.50) ALDH1A1SLC37A4KDM4EHPGDHSD17B10
SCHEMBL6680902 0.87 ALDH1A1 (0.59) ALDH1A1SLC37A4KDM4ECA12CA9
SCHEMBL1699722 0.87 ALDH1A1 (0.45) ALDH1A1SLC37A4PRSS1PRSS2PRSS3
SCHEMBL5511949 0.86 ALDH1A1 (0.52) ALDH1A1SLC37A4BIDBCL2L1MCL1
SCHEMBL368880 0.86 ALDH1A1 (0.49) ALDH1A1SLC37A4KDM4EHPGDHSD17B10

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-0318941-B1 DEVELOPER FOR PRESSURE-SENSITIVE RECORDING SHEETS, AQUEOUS DISPERSION OF THE DEVELOPER AND METHOD FOR PREPARING THE DEVELOPER Sanko Kaihatsu Kagaku Kenkyusho (JP) 1993-06-09 EP claimed
US-5128309-A Recording material FUJI PHOTO FILM CO., LTD. (JP) 1992-07-07 US disclosed