SCHEMBL12416539

SCHEMBL12416539

CCC(C)(C)C(=O)OC1CCC(C)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 8/20 0.38
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TAS1R2 Q8TE23 2/20 0.36
MLNR O43193 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HRH1 P35367 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1C Q13936 1/20 0.33
FKBP1A P62942 3/20 0.33

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
SCHEMBL20306561 0.85 TAS1R3 (0.36) RIPK1TAS1R3TAS1R1TAS1R2CHRM3
SCHEMBL2740661 0.81 IDO1 (0.46) RIPK1HTR2COPRM1DRD3OPRK1
SCHEMBL2740636 0.78 IDO1 (0.49) RIPK1
SCHEMBL2740802 0.77 SSTR4 (0.41) RIPK1HTR2AHTR2B
SCHEMBL9610702 0.77 IDO1 (0.44) RIPK1
SCHEMBL16706580 0.77 RIPK1 (0.40) RIPK1MLNRCHRM2CHRM1CHRM3
SCHEMBL12416519 0.76 IDO1 (0.43) RIPK1OPRM1
SCHEMBL26419677 0.75 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2SLC6A3
SCHEMBL15113859 0.74 HTR2B (0.40) RIPK1HTR2B
SCHEMBL15113858 0.74 RIPK1 (0.42) RIPK1HTR2C

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-8501384-B2 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-08-06 US disclosed
US-20110171580-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-07-14 US disclosed