SCHEMBL16010995

SCHEMBL16010995

C=Cc1cc(OCCCCCCCCCCCCCCCCCCCC)c(C=C)cc1OCCCCCCCCCCCCCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2A P08913 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NR5A1 Q13285 1/20 0.39
CHUK O15111 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKCG P05129 1/20 0.39
CDK1 P06493 1/20 0.39

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
SCHEMBL15899247 1.00 TLR8 (0.40) TLR8MAPTMEN1NR1I2LMNA
SCHEMBL2190590 1.00 TLR8 (0.40) TLR8MAPTMEN1NR1I2LMNA
SCHEMBL16011046 1.00 TLR8 (0.40) TLR8MAPTMEN1NR1I2LMNA
SCHEMBL27831058 0.92 CYP1A2 (0.41) TLR8MEN1KMT2ATSHRCNR2
SCHEMBL16023274 0.92 ESR1 (0.39) TLR8MAPTMEN1NR1I2LMNA
SCHEMBL16023270 0.92 ESR1 (0.39) TLR8MAPTMEN1NR1I2LMNA
SCHEMBL16023271 0.92 ESR1 (0.39) TLR8MAPTMEN1NR1I2LMNA
SCHEMBL16023268 0.92 ESR1 (0.39) TLR8MAPTMEN1NR1I2LMNA
SCHEMBL13620055 0.90 THRA (0.40) LMNASMPD1THRBNPSR1S1PR3
SCHEMBL3236127 0.84 NR5A1 (0.49) NR5A1TSHRCNR2

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-20140256894-A1 DIFLUORO BENZOTRIAZOLYL ORGANIC SEMICONDUCTOR MATERIAL, PREPARATION METHOD AND USE THEREOF OCEAN'S KING LIGHTING SCIENCE & TECHNOLOGY CO., LTD. (CN) 2014-09-11 US disclosed