SCHEMBL28533748

SCHEMBL28533748

O=COc1cc2ccccc2oc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TYR P14679 1/20 0.53
DAO P14920 1/20 0.53
AKR1B1 P15121 1/20 0.53
POLB P06746 1/20 0.53
MAOB P27338 6/20 0.50
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 6/20 0.50
RAB9A P51151 2/20 0.50
CYP2A6 P11509 1/20 0.50
CA12 O43570 3/20 0.49
CA9 Q16790 3/20 0.49
CA1 P00915 2/20 0.49
CA3 P07451 1/20 0.49
TSHR P16473 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49

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
SCHEMBL28437671 0.83 HPGD (0.58) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL8872078 0.80 POLB (0.47) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL28444989 0.80 HPGD (0.55) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL28915664 0.80 SMN1; SMN2 (0.59) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL106241 0.80 MEN1 (0.60) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL15842611 0.80 HPGD (0.55) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL7806916 0.80 HPGD (0.55) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL15842326 0.79 HPGD (0.53) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL8881621 0.79 MEN1 (0.58) HPGDSMN1; SMN2TYRDAOAKR1B1
Hydrochloric Acid SCHEMBL11233384 0.79 MEN1 (0.58) HPGDSMN1; SMN2TYRDAOAKR1B1

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
CN-107445933-B 3-coumarin formic acid compound and application thereof in preparation of phytopathogen antibacterial agent 西北农林科技大学 2021-03-23 CN disclosed