SCHEMBL12416484

SCHEMBL12416484

CCC(C)c1ccc(C(=O)OC2CCCCc3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.45
CTSV O60911 2/20 0.44
CTSL P07711 2/20 0.44
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.40
IDO1 P14902 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL14088212 0.83 FFAR1 (0.47) FFAR1CTSVCTSLCTSSCTSK
SCHEMBL14088211 0.79 FFAR1 (0.45) FFAR1CTSVCTSLCTSSCTSK
SCHEMBL12416486 0.78 CTSV (0.40) FFAR1CTSVCTSLCTSSCTSK
SCHEMBL9722001 0.78 IDO1 (0.55) FFAR1CTSVCTSLCTSSCTSK
SCHEMBL2192882 0.77 TAS1R3 (0.56) ALDH1A1KDM4EIDO1HTTMEN1
SCHEMBL13144168 0.77 HTT (0.51) ALDH1A1POLBNPSR1HTTMEN1
SCHEMBL11998987 0.76 FFAR1 (0.61) FFAR1CTSVCTSLCTSSCTSK
SCHEMBL13144169 0.76 HTT (0.53) ALDH1A1NPSR1HTTMEN1KMT2A
SCHEMBL10262100 0.76 MTNR1A (0.41) ALDH1A1KDM4EPOLBNPSR1L3MBTL1
SCHEMBL2740688 0.75 CTSV (0.49) FFAR1CTSVCTSLCTSSCTSK

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