SCHEMBL8049338

SCHEMBL8049338

C=CCc1ccc2cc(-c3ncc(/C=C/CCCC(C)O)cn3)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS2 P35354 1/20 0.31
PPARG P37231 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
SCHEMBL8049343 1.00 ALDH1A1 (0.34) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL7559040 0.90 ALDH1A1 (0.30) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL7559045 0.90 ALDH1A1 (0.30) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL8047657 0.89 ALDH1A1 (0.31) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL8047654 0.89 ALDH1A1 (0.31) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL8048575 0.88 KDM4E (0.34) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL8048571 0.88 KDM4E (0.34) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL8051883 0.87 PTGS2 (0.37) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL8051878 0.87 PTGS2 (0.37) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL8048452 0.85 ALDH1A1 (0.34) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1

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