SCHEMBL12416486

SCHEMBL12416486

CCC(C)c1cccc2c(C(=O)OC3CCCCc4ccccc43)cccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.40
CTSL P07711 2/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
FFAR1 O14842 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
IDO1 P14902 2/20 0.36
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
CD38 P28907 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL12416484 0.78 FFAR1 (0.45) CTSVCTSLCTSSCTSKFFAR1
SCHEMBL2193202 0.77 IDO1 (0.39) ALDH1A1TAS1R3TAS1R1IDO1POLB
SCHEMBL13126080 0.76 TSHR (0.37) ALDH1A1POLBNPSR1KDM4EMEN1
SCHEMBL14825876 0.72 HSP90AA1 (0.35)
SCHEMBL15958400 0.71 CXCR5 (0.39) ALDH1A1KDM4E
SCHEMBL2740688 0.71 CTSV (0.49) CTSVCTSLCTSSCTSKFFAR1
SCHEMBL14088212 0.71 FFAR1 (0.47) CTSVCTSLCTSSCTSKFFAR1
SCHEMBL14749067 0.69 SCN1A (0.37) ALDH1A1KDM4E
SCHEMBL9610702 0.68 IDO1 (0.44) CTSVCTSLCTSSCTSKFFAR1
SCHEMBL19335512 0.68 IDO1 (0.50) CTSVCTSLCTSSCTSKFFAR1

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