SCHEMBL8930854

SCHEMBL8930854

CCCCCCCCCCOc1ccc2c(c1F)CCc1c-2ccc(OCCCC)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
LTA4H P09960 2/20 0.38
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRA2A P08913 1/20 0.37
MAPT P10636 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CHUK O15111 1/20 0.37
DAPK3 O43293 1/20 0.37

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
SCHEMBL8905337 1.00 NR5A1 (0.40) NR5A1ALDH1A1HPGDLTA4HTHRA
SCHEMBL8930851 1.00 NR5A1 (0.40) NR5A1ALDH1A1HPGDLTA4HTHRA
SCHEMBL27509454 0.98 ALDH1A1 (0.40) NR5A1ALDH1A1HPGDTHRATHRB
SCHEMBL27509087 0.98 ALDH1A1 (0.40) NR5A1ALDH1A1HPGDTHRATHRB
SCHEMBL8930873 0.98 ALDH1A1 (0.40) NR5A1ALDH1A1HPGDTHRATHRB
SCHEMBL8930868 0.98 ALDH1A1 (0.40) NR5A1ALDH1A1HPGDTHRATHRB
SCHEMBL8930859 0.98 ALDH1A1 (0.40) NR5A1ALDH1A1HPGDTHRATHRB
SCHEMBL27491980 0.97 ALDH1A1 (0.38) NR5A1ALDH1A1HPGDLTA4HTHRA
SCHEMBL8930860 0.95 ALDH1A1 (0.38) NR5A1ALDH1A1HPGDTHRATHRB
SCHEMBL17108450 0.95 CYP1A2 (0.40) ALDH1A1HPGDLTA4HMEN1MAPT

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
WO-1997004039-A1 FERROELECTRIC LIQUID CRYSTAL MIXTURE HOECHST RESEARCH & TECHNOLOGY DEUTSCHLAND GMBH & CO. KG (DE) 1997-02-06 WO disclosed