SCHEMBL18831787

SCHEMBL18831787

CCOc1cccc(C(=O)O)c1COc1ccc(O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 12/20 0.46
LMNA P02545 1/20 0.45
APEX1 P27695 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
NPC1 O15118 1/20 0.42
MITF O75030 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGER1 P34995 1/20 0.41

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
SCHEMBL16920926 0.90 MRGPRX4 (0.55) MRGPRX4LMNAAPEX1NPC1MITF
SCHEMBL18831494 0.89 MRGPRX4 (0.47) MRGPRX4APEX1PTGER1
SCHEMBL18831484 0.87 MRGPRX4 (0.50) MRGPRX4APEX1
SCHEMBL18831470 0.86 MRGPRX4 (0.54) MRGPRX4LMNANPC1MITFRAB9A
SCHEMBL18831634 0.86 MRGPRX4 (0.53) MRGPRX4APEX1
SCHEMBL18831597 0.84 MRGPRX4 (0.50) MRGPRX4
SCHEMBL18831409 0.84 MRGPRX4 (0.47) MRGPRX4APEX1
SCHEMBL18831781 0.83 ALDH1A1 (0.45) MRGPRX4ESR1NPC1RAB9ASMN1; SMN2
SCHEMBL16920927 0.81 MRGPRX4 (0.57) MRGPRX4LMNANPC1MITFRAB9A
SCHEMBL16920924 0.79 MRGPRX4 (0.56) MRGPRX4LMNAAPEX1NPC1RAB9A

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
US-9828389-B2 Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-28 US disclosed
EP-2900655-B1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2017-05-10 EP disclosed