SCHEMBL20195502

SCHEMBL20195502

Cc1cccc(OCc2c(C(=O)Cl)cccc2C2CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.40
HCRTR1 O43613 7/20 0.38
HCRTR2 O43614 7/20 0.38
SSTR4 P31391 2/20 0.37
NR1H4 Q96RI1 4/20 0.35
SYK P43405 1/20 0.35
PDK2 Q15119 1/20 0.34
PDK4 Q16654 1/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL20195599 0.89 GABRA5 (0.43) GABRA5HCRTR1HCRTR2SSTR4NR1H4
SCHEMBL20195491 0.84 SSTR4 (0.40) GABRA5SSTR4PDK2PDK4
SCHEMBL20195624 0.82 GABRA5 (0.43) GABRA5
SCHEMBL20195626 0.80 GABRA5 (0.42) GABRA5
SCHEMBL20195437 0.79 GABRA5 (0.43) GABRA5SSTR4SYKPDK2PDK4
SCHEMBL20195640 0.79 TP53 (0.42) GABRA5HCRTR1HCRTR2
SCHEMBL18504462 0.78 S1PR1 (0.31) SSTR4NR1H4
SCHEMBL20195631 0.78 SSTR4 (0.41) SSTR4
SCHEMBL20195498 0.78 SSTR4 (0.41) SSTR4
SCHEMBL17788242 0.78 SLC22A12 (0.40) NR1H4PDK2PDK4

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-3029035-B1 TETRAZOLINONE COMPOUND, AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-05-30 EP disclosed