SCHEMBL8036646

SCHEMBL8036646

C=CCc1ccc2nc(/C=C/CCCC(C)O)cnc2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
LTB4R Q15722 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31
XDH P47989 1/20 0.31
PPARG P37231 2/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
RAB9A P51151 2/20 0.30
NPC1 O15118 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
SCHEMBL8036653 1.00 ALDH1A1 (0.33) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8051294 0.92 PTGS2 (0.32) LTB4RPDE3BPDE3AP2RY12ALOX5
SCHEMBL8051290 0.92 PTGS2 (0.32) LTB4RPDE3BPDE3AP2RY12ALOX5
SCHEMBL8598582 0.89
SCHEMBL8598584 0.89
SCHEMBL8048395 0.88 ALOX5 (0.33) GABRA1CNR1CNR2GABRB2ALOX5
SCHEMBL8048392 0.88 ALOX5 (0.33) GABRA1CNR1CNR2GABRB2ALOX5
SCHEMBL8051583 0.84 LTB4R (0.39) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8051586 0.84 LTB4R (0.39) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8036827 0.84 ALOX5 (0.31) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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