SCHEMBL614993

SCHEMBL614993

C=C(C)c1cc(CC2CCNC2)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.40
P2RX7 Q99572 2/20 0.37
SLC6A4 P31645 3/20 0.36
GBA1 P04062 1/20 0.36
HRH4 Q9H3N8 3/20 0.35
HRH3 Q9Y5N1 3/20 0.35
USP30 Q70CQ3 1/20 0.34
KCNH2 Q12809 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CHKA P35790 1/20 0.33
FLT3 P36888 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
GAS6 Q14393 1/20 0.32

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
SCHEMBL612242 0.79 ALDH1A1 (0.31)
SCHEMBL28794985 0.77 EED (0.44) EEDSLC6A4GBA1HRH4HRH3
SCHEMBL614098 0.76 POLB (0.43)
SCHEMBL614331 0.73 HTR3A (0.45) SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL817652 0.73 SLC6A4 (0.40) EEDSLC6A4GBA1HRH4HRH3
SCHEMBL27992796 0.73 IRAK4 (0.43) EEDP2RX7USP30
SCHEMBL1814200 0.73 GBA1 (0.52) EEDSLC6A4GBA1HRH4HRH3
SCHEMBL20140680 0.72 P2RX7 (0.46) P2RX7SLC6A4GBA1
SCHEMBL29185103 0.71 GBA1 (0.55) P2RX7SLC6A4GBA1HRH4HRH3
SCHEMBL30781482 0.71 GBA1 (0.55) P2RX7SLC6A4GBA1HRH4HRH3

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-8367765-B2 Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-05 US disclosed
US-20120041135-A1 CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER COMPOSITION, AND PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed