SCHEMBL28398347

SCHEMBL28398347

CCC(C)CC(CC)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
KISS1R Q969F8 3/20 0.35
CA2 P00918 5/20 0.34
CA1 P00915 3/20 0.34
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BIRC2 Q13490 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL14564603 0.85 CA1 (0.44) TSHRUSP2SLC1A3SLC1A2SLC1A1
SCHEMBL28149631 0.84 SLC1A3 (0.39) TSHRUSP2SLC1A3SLC1A2SLC1A1
SCHEMBL21021701 0.84 KISS1R (0.32) TSHRUSP2KISS1R
SCHEMBL3657031 0.82 KISS1R (0.50) TSHRUSP2SLC1A3SLC1A2SLC1A1
SCHEMBL18776610 0.81 CA2 (0.50) USP2SLC1A3SLC1A2SLC1A1KISS1R
SCHEMBL8314295 0.80 SLC1A3 (0.58) TSHRUSP2SLC1A3SLC1A2SLC1A1
SCHEMBL20490062 0.80 SLC1A3 (0.37) TSHRUSP2SLC1A3SLC1A2SLC1A1
SCHEMBL12702098 0.80 TSHR (0.41) TSHRUSP2SLC1A3SLC1A2SLC1A1
SCHEMBL1716335 0.80 SLC1A3 (0.58) TSHRUSP2SLC1A3SLC1A2SLC1A1
SCHEMBL9764128 0.79 TSHR (0.33) TSHRSLC1A3SLC1A2SLC1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107661763-B Nanocarbon material forming body, preparation method and application thereof, forming method of nanocarbon material and hydrocarbon dehydrogenation reaction method 中国石油化工股份有限公司 2020-05-19 CN disclosed