SCHEMBL29375753

SCHEMBL29375753

COc1ccc(C(=O)O)cc1OCc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.75
HDAC1 Q13547 1/20 0.75
HDAC8 Q9BY41 1/20 0.75
HDAC6 Q9UBN7 1/20 0.75
RXRA P19793 1/20 0.73
MRGPRX4 Q96LA9 4/20 0.72
NPC1 O15118 1/20 0.68
HPGD P15428 1/20 0.68
RAB9A P51151 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA4 P22748 1/20 0.65
CA6 P23280 1/20 0.65
CA7 P43166 1/20 0.65
TPMT P51580 1/20 0.65
CA9 Q16790 1/20 0.65
CA14 Q9ULX7 1/20 0.65
PDE4A P27815 2/20 0.63

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
SCHEMBL1029034 1.00 SMPD1 (0.75) SMPD1HDAC1HDAC8HDAC6RXRA
Hydrochloric Acid SCHEMBL6586504 0.98 SMPD1 (0.73) SMPD1HDAC1HDAC8HDAC6RXRA
SCHEMBL11271923 0.98 SMPD1 (0.73) SMPD1HDAC1HDAC8HDAC6RXRA
SCHEMBL242563 0.94 MRGPRX4 (0.77) SMPD1HDAC1HDAC8HDAC6RXRA
SCHEMBL11277266 0.93 MRGPRX4 (0.75) SMPD1HDAC1HDAC8HDAC6RXRA
SCHEMBL29556736 0.91 MRGPRX4 (0.62) SMPD1HDAC1HDAC8HDAC6RXRA
SCHEMBL1600077 0.91 MRGPRX4 (0.62) SMPD1HDAC1HDAC8HDAC6RXRA
SCHEMBL4270566 0.90 SMPD1 (0.73) SMPD1HDAC1HDAC8HDAC6RXRA
SCHEMBL9236564 0.90 SMPD1 (0.73) SMPD1HDAC1HDAC8HDAC6RXRA
Hydrochloric Acid SCHEMBL10857748 0.89 MRGPRX4 (0.61) SMPD1HDAC1HDAC8HDAC6RXRA

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
EP-3947352-A1 COMPLEMENT MODULATORS AND RELATED METHODS RA Pharmaceuticals, Inc. (US) 2022-02-09 EP disclosed