SCHEMBL9769911

SCHEMBL9769911

CC(c1ccccc1)C(C)c1cccc(C(=O)O)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
HPGD P15428 4/20 0.49
KDM4E B2RXH2 4/20 0.49
HSD17B10 Q99714 3/20 0.49
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HNF4A P41235 1/20 0.46
HMGB1 P09429 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA9 Q16790 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ALB P02768 1/20 0.44

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
SCHEMBL312797 0.85 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL1858272 0.83 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL5888693 0.82 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL1129359 0.81 ALDH1A1 (0.64) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL39140 0.80 HPGD (0.61) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL31011017 0.80 HPGD (0.61) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL5885520 0.80 TRPA1 (0.45) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL11474084 0.79 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL1039957 0.79 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EHSD17B10KMT2A
Bicarbonate SCHEMBL236924 0.79 GABRA1 (0.59) ALDH1A1HPGDKDM4EHSD17B10KMT2A

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-4999333-A For facsimile and thermal printing FUJI PHOTO FILM CO., LTD. (JP) 1991-03-12 US disclosed