SCHEMBL27875950

SCHEMBL27875950

C=CCCCc1c(NCC)cccc1NCC

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
ALDH1A1 P00352 3/20 0.34
USP2 O75604 2/20 0.34
MEN1 O00255 1/20 0.34
CASP1 P29466 1/20 0.34
BRCA1 P38398 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM5 P41594 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.33
RECQL P46063 1/20 0.33
TLR8 Q9NR97 1/20 0.32
IDO1 P14902 1/20 0.32
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
GAA P10253 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
SCHEMBL27892524 0.81 TLR8 (0.35) TSHRALDH1A1USP2MEN1CASP1
SCHEMBL28801255 0.78 MEN1 (0.38) TSHRALDH1A1USP2MEN1CASP1
SCHEMBL12802153 0.75 TSHR (0.41) TSHRALDH1A1USP2GRM5HPGD
SCHEMBL12802065 0.74 ALDH1A1 (0.39) TSHRALDH1A1USP2MEN1KMT2A
SCHEMBL27876022 0.73 GABRA1 (0.33) TSHRALDH1A1HPGDCYP3A4RECQL
SCHEMBL12802315 0.73 GABRA1 (0.39) TSHRALDH1A1USP2HPGDTDP1
SCHEMBL27892566 0.71 TLR8 (0.35) TSHRALDH1A1TLR8
SCHEMBL27876014 0.71 TLR8 (0.35) TSHRALDH1A1TLR8IDO1
SCHEMBL12802103 0.70 TSHR (0.45) TSHRALDH1A1USP2HPGDTDP1
SCHEMBL12802242 0.70 TSHR (0.45) TSHRALDH1A1USP2HPGDTDP1

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-102731722-A Process for producing modified conjugated diene-based polymer, modified conjugated diene-based polymer, and polymer composition SUMITOMO CHEMICAL CO 2012-10-17 CN disclosed