SCHEMBL8767442

SCHEMBL8767442

CCCCCCCCOc1cccc(C=O)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADRA2A P08913 1/20 0.46
MAPT P10636 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MCHR1 Q99705 2/20 0.43
PTPN1 P18031 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL13986197 0.94 ALDH1A1 (0.53) ALDH1A1HPGDHTTSMN1; SMN2MEN1
SCHEMBL12610716 0.89 ALDH1A1 (0.55) ALDH1A1HPGDHTTSMN1; SMN2MEN1
SCHEMBL8903560 0.88 MCHR1 (0.44) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL8903552 0.88 MCHR1 (0.44) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL9723167 0.86 L3MBTL1 (0.41) ALDH1A1HPGDHTTSMN1; SMN2MEN1
SCHEMBL10008733 0.86 L3MBTL1 (0.41) ALDH1A1HPGDHTTSMN1; SMN2MEN1
SCHEMBL3432906 0.85 ALDH1A1 (0.69) ALDH1A1HPGDHTTSMN1; SMN2MEN1
SCHEMBL307516 0.85 ALDH1A1 (0.69) ALDH1A1HPGDHTTSMN1; SMN2MEN1
SCHEMBL7830929 0.85 ALDH1A1 (0.69) ALDH1A1HPGDHTTSMN1; SMN2MEN1
SCHEMBL1509367 0.85 ALDH1A1 (0.69) ALDH1A1HPGDHTTSMN1; SMN2MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5702638-A FERROELECTRIC LIQUID CRYSTALS MIXTURES HAVING HIGH NEGATIVE VALUES FOR THE DIELECTRIC ANISOTROPY HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed
EP-0743971-B1 PHENANTHRIDINE DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MIXTURES HOECHST AG (DE) 1997-09-03 EP disclosed
US-5648021-A Phenanthrene derivatives and their use in liquid-crystalline mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1997-07-15 US disclosed
EP-0743971-A1 PHENANTHRIDINE DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MIXTURES HOECHST AG (DE) 1996-11-27 EP disclosed
WO-1995021227-A1 PHENANTHRIDINE DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-10 WO disclosed