SCHEMBL12415890

SCHEMBL12415890

C=Cc1cccc2c(COC3c4ccccc4CC3(C)C)cccc12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.34
SLC6A4 P31645 5/20 0.34
CYP2D6 P10635 4/20 0.32
SLC6A3 Q01959 1/20 0.32
STS P08842 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
SCHEMBL9610356 0.76 TSHR (0.32) SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL9610361 0.72 TSHR (0.32)
SCHEMBL14666134 0.65 TSHR (0.34)
SCHEMBL9610354 0.64 TSHR (0.37) SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL4503938 0.63 GABRA1 (0.40)
SCHEMBL2519704 0.63 GCGR (0.42)
SCHEMBL29063586 0.63 CYP2D6 (0.42) SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL19490736 0.62 SLC6A2 (0.40) SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL4589782 0.61 GCGR (0.38)
SCHEMBL9610362 0.61 TAS1R3 (0.42) SLC6A2SLC6A4CYP2D6

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-20110171580-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-07-14 US disclosed
US-20110171580-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-07-14 US disclosed