SCHEMBL11802192

SCHEMBL11802192

CC1(C)OC1COc1ccc(C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.50
PLA2G4B P0C869 3/20 0.49
MAPK1 P28482 2/20 0.49
TSHR P16473 2/20 0.49
TP53 P04637 1/20 0.49
NR4A2 P43354 2/20 0.47
POLB P06746 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
SRD5A2 P31213 1/20 0.47
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL7766960 0.87 PKM (0.47) PKMPLA2G4BMAPK1TSHRTP53
SCHEMBL11870994 0.86 GAA (0.54) MAPK1RAB9ASMN1; SMN2SRD5A2HTT
SCHEMBL7767571 0.83 SRD5A2 (0.51) PKMPLA2G4BMAPK1TSHRTP53
SCHEMBL7766997 0.83 SRD5A2 (0.51) PKMPLA2G4BMAPK1TSHRTP53
SCHEMBL7763847 0.81 RXRA (0.47) PKMPLA2G4BMAPK1TSHRTP53
SCHEMBL7771473 0.80 SRD5A2 (0.48) PKMPLA2G4BMAPK1TSHRTP53
SCHEMBL11571027 0.80 CA12 (0.47) TSHRNPC1CA1CA2
SCHEMBL1964361 0.78 CA2 (0.43) PKMPLA2G4BMAPK1TSHRTP53
SCHEMBL1966013 0.78 CA2 (0.43) PKMPLA2G4BMAPK1TSHRTP53
SCHEMBL21197731 0.78 CA2 (0.43) PKMPLA2G4BMAPK1TSHRTP53

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-4051319-A INSECTICIDES HOFFMANN-LA ROCHE INC. (US) 1977-09-27 US disclosed
US-3957833-A KILLING INSECTS, HORMONES HOFFMANN-LA ROCHE INC. (US) 1976-05-18 US disclosed