SCHEMBL8048994

SCHEMBL8048994

CCCCCOC(C)CCCC=Cc1ccc(-c2ccc(-c3ccc(O)c(F)c3F)cc2)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 5/20 0.34
HPGD P15428 5/20 0.34
RAB9A P51151 5/20 0.34
NPC1 O15118 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
CASP3 P42574 2/20 0.34
SENP8 Q96LD8 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
SENP6 Q9GZR1 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 2/20 0.32
STAT3 P40763 1/20 0.32
ATM Q13315 1/20 0.32
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
MAOB P27338 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL8048993 1.00 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL8048924 0.96 KDM4E (0.36) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL8048930 0.96 KDM4E (0.36) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL8046317 0.94 NPC1 (0.32) ALDH1A1RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL8046319 0.94 NPC1 (0.32) ALDH1A1RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL8050865 0.91 KDM4E (0.32) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL8050862 0.91 KDM4E (0.32) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL8036602 0.91 TNNC1 (0.36) ALDH1A1MAOBCNR1CNR2TNNC1
SCHEMBL8036608 0.91 TNNC1 (0.36) ALDH1A1MAOBCNR1CNR2TNNC1
SCHEMBL8045988 0.90 TNNC1 (0.35) ALDH1A1MAOBCNR1CNR2TNNC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643119-B1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-6030546-A FERROELECTRIC PHASE; LOW VISCOSITY;, THERMOSENSITIVITY OVER A BROAD AND EXHIBITS A LARGE TILT ANGLE AND A HIGH-SPEED RESPONSE PROPERTY;CHEMICAL INTERMEDIATES FOR PESTICIDES, DRUGS AND LIQUID CRYSTALS; BORIDING AND HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-29 US disclosed
US-5707547-A CONTAINING FLUORINATED BENZENE OR NAPHTHALENE RINGS AND/OR NITROGEN CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0643119-A1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-15 EP disclosed