SCHEMBL16677142

SCHEMBL16677142

CCc1ccc(S)cc1C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
CTRC Q99895 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
SCHEMBL12650461 0.83 HSD17B1 (0.40) NOS3NOS1NOS2
SCHEMBL27540125 0.82 PRKCI (0.32)
SCHEMBL11552454 0.81 KIF11 (0.36) NOS3NOS1NOS2GABRA1GABRB2
SCHEMBL7041344 0.80 GRIN2D (0.36) GABRA1GABRB2CTRC
SCHEMBL21733193 0.79 TAAR1 (0.33)
SCHEMBL10477429 0.79 SHBG (0.36) PGK1PGK2NPSR1
SCHEMBL3012966 0.78 GABRA1 (0.32) GABRA1GABRB2CTRC
SCHEMBL28000586 0.76 ALDH1A1 (0.30)
SCHEMBL168406 0.75 PYCR1 (0.46) NOS3NOS1NOS2
SCHEMBL4977371 0.74 TRPV4 (0.47) CTRC

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
WO-2020203514-A1 COLORING COMPOSITION, COMPOUND, COLOR FILTER, AND DISPLAY DEVICE 住友化学株式会社 2020-10-08 WO disclosed
EP-2330098-B1 COMPOUND WITH AGITATION EFFECT ON PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR SUBTYPE delta, AND PREPARATION METHOD AND USE THEREOF ZHEJIANG HISUN PHARM CO LTD (CN) 2015-04-29 EP disclosed