SCHEMBL8846792

SCHEMBL8846792

CON=C(C(=O)OC)C1(O)C=Cc2ccccc2C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
P2RX4 Q99571 1/20 0.31
TRPA1 O75762 1/20 0.30
RYR2 Q92736 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL28648656 0.81 MEN1 (0.36) MAPTP2RX4TRPA1LMNAGAA
SCHEMBL7529245 0.75 CA1 (0.35)
SCHEMBL11626153 0.73 MAOB (0.36)
SCHEMBL10393568 0.72 BRD4 (0.45) MAPTRAB9ASMN1; SMN2LMNAGAA
SCHEMBL10708088 0.69 NAMPT (0.48)
SCHEMBL9649135 0.67 ALDH1A1 (0.40) MAPTRAB9ASMN1; SMN2P2RX4LMNA
SCHEMBL6743344 0.66 PLK4 (0.33) LMNAGAA
SCHEMBL23781284 0.66 PARP1 (0.34)
SCHEMBL31520302 0.65 PARP1 (0.36) MAPTGAA
SCHEMBL258234 0.65 PARP1 (0.36) MAPTGAA

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
US-5602181-A PESTICIDES, FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-02-11 US disclosed