SCHEMBL8975367

SCHEMBL8975367

CCCCCCCCCCCCCCCCOc1cc2c3cc(OCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCC)cc3c3cc(OCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCCCC)cc3c2cc1OCCCCCCCCCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.45
SMPD1 P17405 4/20 0.45
TLR8 Q9NR97 2/20 0.45
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2A P08913 1/20 0.44
MAPT P10636 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PLA2G2A P14555 1/20 0.44
TSHR P16473 1/20 0.44
CHUK O15111 1/20 0.44
DAPK3 O43293 1/20 0.44
JAK2 O60674 1/20 0.44

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
SCHEMBL29840264 1.00 NR5A1 (0.45) NR5A1SMPD1TLR8MEN1NR1I2
SCHEMBL6743869 1.00 NR5A1 (0.45) NR5A1SMPD1TLR8MEN1NR1I2
SCHEMBL31071684 1.00 NR5A1 (0.45) NR5A1SMPD1TLR8MEN1NR1I2
SCHEMBL30980096 1.00 NR5A1 (0.45) NR5A1SMPD1TLR8MEN1NR1I2
SCHEMBL12918761 1.00 NR5A1 (0.45) NR5A1SMPD1TLR8MEN1NR1I2
SCHEMBL202536 1.00 NR5A1 (0.45) NR5A1SMPD1TLR8MEN1NR1I2
SCHEMBL8974064 1.00 NR5A1 (0.45) NR5A1SMPD1TLR8MEN1NR1I2
SCHEMBL8974623 1.00 NR5A1 (0.45) NR5A1SMPD1TLR8MEN1NR1I2
SCHEMBL20678395 1.00 NR5A1 (0.45) NR5A1SMPD1TLR8MEN1NR1I2
SCHEMBL2201723 0.98 TLR8 (0.43) NR5A1SMPD1TLR8MEN1NR1I2

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
EP-0704529-A2 Vaccine against rabbit hemorrhagic disease virus UNIVERSIDAD DE OVIEDO (ES) 1996-04-03 EP disclosed
WO-1994029243-A1 SYNTHESIS OF SUBSTITUTED TRIPHENYLENES, USEFUL AS DISCOTIC LIQUID CRYSTALS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1994-12-22 WO disclosed