SCHEMBL9614557

SCHEMBL9614557

CCCC1CCC(C2(c3ccc(OCC4CCC4)cc3)CCCCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 5/20 0.40
PARP10 Q53GL7 5/20 0.40
PARP2 Q9UGN5 2/20 0.40
FFAR1 O14842 1/20 0.40
PDK2 Q15119 2/20 0.37
HPGD P15428 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
NFE2L2 Q16236 1/20 0.36
ADAM17 P78536 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL9775622 0.99 FFAR1 (0.40) PARP15PARP10PARP2FFAR1PDK2
SCHEMBL10511848 0.84 MAPT (0.38) HPGDSLC6A2SLC6A4SLC6A3NFE2L2
SCHEMBL9183435 0.82 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL10612749 0.82 OPRD1 (0.36)
SCHEMBL9177824 0.80 SLC6A3 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL8435345 0.80 OPRM1 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL9177828 0.80 SLC6A3 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL9229333 0.80 SLC6A4 (0.34) HPGDSLC6A2SLC6A4SLC6A3
SCHEMBL9562790 0.80 SLC6A4 (0.34) HPGDSLC6A2SLC6A4SLC6A3
SCHEMBL11048827 0.79 HTR6 (0.35)

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
JP-4103555-A None JP disclosed
JP-H04103555-A CYCLOBUTANE DERIVATIVE CHISSO CORP 1992-04-06 JP disclosed