SCHEMBL12416535

SCHEMBL12416535

CCC1CCc2ccccc2C1OC(=O)C(C)(C)CC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
CYP2D6 P10635 2/20 0.39
SLC6A3 Q01959 1/20 0.39
RIPK1 Q13546 2/20 0.38
PIN1 Q13526 2/20 0.36
OPRM1 P35372 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPK14 Q16539 1/20 0.35
HTT P42858 1/20 0.34
FFAR1 O14842 2/20 0.34
KDM4E B2RXH2 1/20 0.34
BLM P54132 1/20 0.34
TSHR P16473 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 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
SCHEMBL12416530 0.86 TAS1R3 (0.40) MTNR1AMTNR1BRIPK1PIN1OPRM1
SCHEMBL2740661 0.82 IDO1 (0.46) MTNR1AMTNR1BRIPK1PIN1OPRM1
SCHEMBL2190318 0.79 MTNR1A (0.41) MTNR1AMTNR1BSLC6A2SLC6A4CYP2D6
SCHEMBL2740636 0.77 IDO1 (0.49) RIPK1MAPK1MAPK14HTTFFAR1
SCHEMBL9610702 0.76 IDO1 (0.44) RIPK1MAPK1MAPK14HTTFFAR1
SCHEMBL12416519 0.75 IDO1 (0.43) RIPK1OPRM1MAPK1MAPK14HTT
SCHEMBL16706580 0.73 RIPK1 (0.40) MTNR1AMTNR1BSLC6A3RIPK1OPRM1
SCHEMBL2740667 0.73 RIPK1 (0.40) MTNR1AMTNR1BRIPK1
SCHEMBL19335509 0.73 TAS1R3 (0.44) MTNR1AMTNR1BPIN1MAPK1MAPK14
SCHEMBL12416517 0.72 RIPK1 (0.36) SLC6A2SLC6A4CYP2D6RIPK1MAPK1

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