SCHEMBL8974666

SCHEMBL8974666

CCCCCCOc1cccc(C)c1OCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.48
LMNA P02545 4/20 0.47
ALDH1A1 P00352 4/20 0.47
CHRM2 P08172 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.47
NR1I2 O75469 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADRA2A P08913 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
TSHR P16473 2/20 0.46
CHRM1 P11229 1/20 0.46
ALOX15 P16050 1/20 0.46
ACHE P22303 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL11331788 1.00 MCHR1 (0.48) MCHR1LMNAALDH1A1CHRM2MAPT
SCHEMBL6709141 0.93 CYP1A2 (0.52) MCHR1LMNAALDH1A1CHRM2MAPT
SCHEMBL28730789 0.89 ALDH1A1 (0.57) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL28730794 0.89 ALDH1A1 (0.57) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL30167843 0.89 CHRM2 (0.56) MCHR1LMNAALDH1A1CHRM2MAPT
SCHEMBL2713101 0.89 ALDH1A1 (0.57) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL4527369 0.89 CHRM2 (0.56) MCHR1LMNAALDH1A1CHRM2MAPT
SCHEMBL456438 0.89 CHRM2 (0.56) MCHR1LMNAALDH1A1CHRM2MAPT
SCHEMBL12914740 0.89 ALDH1A1 (0.57) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL453505 0.89 CHRM2 (0.56) MCHR1LMNAALDH1A1CHRM2MAPT

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-0703885-A1 SYNTHESIS OF SUBSTITUTED TRIPHENYLENES, USEFUL AS DISCOTIC LIQUID CRYSTALS BRITISH TECHNOLOGY GROUP LTD (GB) 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