SCHEMBL21757620

SCHEMBL21757620

O=C(O)C1=CC(=O)[C@@H](O)C(O)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.36
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
OAT P04181 1/20 0.31

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
SCHEMBL218786 1.00 GABRR1 (0.36) GABRR1TSHRMAPK1HSD17B10TDP1
SCHEMBL14439278 1.00 GABRR1 (0.36) GABRR1TSHRMAPK1HSD17B10TDP1
SCHEMBL799755 1.00 GABRR1 (0.36) GABRR1TSHRMAPK1HSD17B10TDP1
SCHEMBL29550605 0.83 GABRR1 (0.42) GABRR1TSHRMAPK1HSD17B10TDP1
SCHEMBL20363529 0.82 GABRR1 (0.33) GABRR1TSHRMAPK1HSD17B10TDP1
SCHEMBL416062 0.82 GABRR1 (0.33) GABRR1TSHRMAPK1HSD17B10TDP1
SCHEMBL17453292 0.79 GABRR1 (0.32) GABRR1TSHRMAPK1HSD17B10TDP1
SCHEMBL419019 0.70 GABRR1 (0.36) GABRR1TSHRMAPK1HSD17B10TDP1
SCHEMBL12929618 0.70 GABRR1 (0.36) GABRR1TSHRMAPK1HSD17B10TDP1
SCHEMBL19215291 0.68 NOS3 (0.30)

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
WO-2020196424-A1 WATER-SOLUBLE ADDITIVE COMPOSITION 住友ベークライト株式会社 2020-10-01 WO disclosed
WO-2020040017-A1 MEDICINAL PRODUCT, ANTICANCER AGENT, MEDICINAL INTERMEDIATE PRODUCT, AND METHOD FOR PRODUCING CYCLIC CARBOXYLIC ACID COMPOUND OR DERIVATIVE THEREOF 住友ベークライト株式会社 2020-02-27 WO disclosed