SCHEMBL8045876

SCHEMBL8045876

CCCCCCCCOc1cnc(-c2ccc(CCCCCC(C)O)cc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.55
MAPT P10636 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
MEN1 O00255 3/20 0.55
ALDH1A1 P00352 3/20 0.55
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 2/20 0.55
HSD17B10 Q99714 2/20 0.55
USP2 O75604 2/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
RARB P10826 5/20 0.49
NPC1 O15118 4/20 0.45
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
RARA P10276 1/20 0.42

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
SCHEMBL8565141 1.00 RAB9A (0.55) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL7865001 0.96 RAB9A (0.53) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL7862172 0.93 RAB9A (0.51) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL7864933 0.93 RAB9A (0.51) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9637589 0.89 RAB9A (0.68) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL10469584 0.89 RAB9A (0.68) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9636349 0.89 RAB9A (0.68) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9636358 0.89 RAB9A (0.68) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9637685 0.89 RAB9A (0.68) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL10469637 0.89 RAB9A (0.68) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1

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 6 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
US-5534188-A Acetylene derivatives, process for producing the same, liquid crystal composition containing the same as an active ingredient, and liquid crystal element using said liquid crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-07-09 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
EP-0628530-A1 ACETYLENE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT, AND LIQUID CRYSTAL ELEMENT MADE THEREFROM SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1994-12-14 EP disclosed