SCHEMBL27876014

SCHEMBL27876014

C=CCCCc1cc(NCC)ccc1NCC

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.35
P2RX3 P56373 1/20 0.33
IDO1 P14902 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL27892566 0.88 TLR8 (0.35) TLR8ALDH1A1TSHRGABRA1GABRB2
SCHEMBL27876012 0.81 GABRA1 (0.40) P2RX3IDO1ALDH1A1TSHRGABRA1
SCHEMBL27876022 0.75 GABRA1 (0.33) TLR8IDO1ALDH1A1TSHRGABRA1
SCHEMBL11018853 0.75 MAPT (0.41) P2RX3IDO1ALDH1A1TSHR
SCHEMBL20776776 0.74 APP (0.34) TLR8ALDH1A1TSHR
SCHEMBL27892524 0.73 TLR8 (0.35) TLR8ALDH1A1TSHR
SCHEMBL27892649 0.72 TSHR (0.35) ALDH1A1TSHR
SCHEMBL27875943 0.71 GABRA1 (0.40) P2RX3IDO1ALDH1A1TSHRGABRA1
SCHEMBL27875950 0.71 TSHR (0.34) TLR8IDO1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL10904912 0.68 NQO2 (0.41) P2RX3ALDH1A1

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