SCHEMBL18748209

SCHEMBL18748209

CCCn1c2cc(CC)ccc2c2c3ccccc3ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.48
▸ PSEN1 P49768 1/20 0.44
▸ PSEN2 P49810 1/20 0.44
▸ APH1B Q8WW43 1/20 0.44
▸ NCSTN Q92542 1/20 0.44
▸ APH1A Q96BI3 1/20 0.44
▸ PSENEN Q9NZ42 1/20 0.44
▸ RORC P51449 2/20 0.43
▸ PGR P06401 1/20 0.43
▸ RORA P35398 1/20 0.43
▸ RORB Q92753 1/20 0.43
▸ CYP1A2 P05177 3/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ HPGD P15428 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ TSHR P16473 5/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ CNR1 P21554 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38

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
SCHEMBL24427107 0.82 TLR8 (0.47) CNR2PGRCYP1A2CYP2A6HPGD
SCHEMBL28454534 0.74 TLR8 (0.48) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL13562119 0.74 CYP1A2 (0.47) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL9779093 0.73 NLRP3 (0.43) CNR2RORCPGRRORARORB
SCHEMBL31265546 0.73 TLR8 (0.55) CNR2RORCPGRRORARORB
SCHEMBL11142942 0.71 ALDH1A1 (0.55) HPGDALDH1A1TSHRMAPK1LMNA
SCHEMBL14315634 0.71 CYP1A2 (0.44) CNR2RORCPGRRORARORB
SCHEMBL19271272 0.71 MAPT (0.44) CYP1A2HPGDALDH1A1TSHRMAPK1
SCHEMBL30659836 0.71 TLR8 (0.59) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL13562250 0.70 CYP2A6 (0.46) CNR2PSEN1PSEN2APH1BNCSTN

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
US-20170110664-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2017-04-20 — — US disclosed
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