SCHEMBL8930859

SCHEMBL8930859

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
MAPT P10636 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CHUK O15111 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 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
SCHEMBL27509087 1.00 ALDH1A1 (0.40) ALDH1A1HPGDTHRATHRBMEN1
SCHEMBL8930873 1.00 ALDH1A1 (0.40) ALDH1A1HPGDTHRATHRBMEN1
SCHEMBL27509454 1.00 ALDH1A1 (0.40) ALDH1A1HPGDTHRATHRBMEN1
SCHEMBL8930868 1.00 ALDH1A1 (0.40) ALDH1A1HPGDTHRATHRBMEN1
SCHEMBL8930854 0.98 NR5A1 (0.40) ALDH1A1HPGDTHRATHRBMEN1
SCHEMBL8905337 0.98 NR5A1 (0.40) ALDH1A1HPGDTHRATHRBMEN1
SCHEMBL8930851 0.98 NR5A1 (0.40) ALDH1A1HPGDTHRATHRBMEN1
SCHEMBL27491980 0.98 ALDH1A1 (0.38) ALDH1A1HPGDTHRATHRBMEN1
SCHEMBL8930860 0.97 ALDH1A1 (0.38) ALDH1A1HPGDTHRATHRBMEN1
SCHEMBL8902944 0.95 L3MBTL1 (0.43) ALDH1A1HPGDTHRATHRBMEN1

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
CN-1214073-A Ferroelectric liquid crystal mixture HOECHST AG (DE) 1999-04-14 CN disclosed
WO-1997004039-A1 FERROELECTRIC LIQUID CRYSTAL MIXTURE HOECHST RESEARCH & TECHNOLOGY DEUTSCHLAND GMBH & CO. KG (DE) 1997-02-06 WO disclosed