SCHEMBL8635849

SCHEMBL8635849

O=C(Oc1cc(F)c(F)c(F)c1)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC1 Q13547 1/20 0.44
HAO1 Q9UJM8 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
DEGS1 O15121 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL11933094 0.89 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2HDAC8HDAC6
SCHEMBL13408557 0.86 ESR2 (0.43) ALDH1A1MAPTSMN1; SMN2HDAC8HDAC6
SCHEMBL20083408 0.86 MRGPRX4 (0.36) ALDH1A1MAPTSMN1; SMN2HDAC8HDAC6
SCHEMBL27468327 0.86 MAPT (0.47) ALDH1A1MAPTSMN1; SMN2HDAC8HDAC6
SCHEMBL21237873 0.86 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2HDAC8HDAC6
SCHEMBL19465030 0.84 HDAC8 (0.40) ALDH1A1MAPTSMN1; SMN2HDAC8HDAC6
SCHEMBL12835631 0.83 ALDH1A1 (0.33) ALDH1A1MAPTSMN1; SMN2HDAC8HDAC6
SCHEMBL8027355 0.83 CYP2C9 (0.43) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL12566105 0.83 CYP2C9 (0.43) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8025496 0.81 CYP2C9 (0.56) ALDH1A1MAPTSMN1; SMN2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5725799-A LIQUID CRYSTALLINE MEDIUM FOR USE IN ELECTROOPTICAL DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-10 US claimed
JP-9169702-A None JP disclosed
EP-3434750-B1 LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2020-11-18 EP disclosed
EP-3179303-B1 LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2020-04-01 EP disclosed
EP-3061802-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2019-09-25 EP disclosed
EP-3275972-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2019-06-19 EP disclosed
EP-2698414-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2019-03-13 EP disclosed
EP-3434750-A1 LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2019-01-30 EP disclosed
EP-3088489-B1 LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2018-06-27 EP disclosed
EP-2653522-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2017-11-22 EP disclosed
EP-3006541-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY JNC CORP (JP) 2017-10-18 EP disclosed
EP-2930223-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2017-05-31 EP disclosed
US-5725799-A LIQUID CRYSTALLINE MEDIUM FOR USE IN ELECTROOPTICAL DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-10 US disclosed
US-5725799-A LIQUID CRYSTALLINE MEDIUM FOR USE IN ELECTROOPTICAL DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-10 US disclosed
US-5725799-A LIQUID CRYSTALLINE MEDIUM FOR USE IN ELECTROOPTICAL DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-10 US disclosed
JP-H09169702-A 4-CYCLOHEXYLBENZOIC ACID 3,4,5-TRIFLUOROPHENYLS MERCK PATENT GMBH 1997-06-30 JP disclosed