SCHEMBL3030896

SCHEMBL3030896

CCC/C=C/C(CO)CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 6/20 0.38
SPHK1 Q9NYA1 6/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
MAPT P10636 4/20 0.38
CETP P11597 4/20 0.38
MAPK1 P28482 3/20 0.38
CYP2D6 P10635 3/20 0.38
THRB P10828 3/20 0.38
GMNN O75496 2/20 0.38
LMNA P02545 2/20 0.38
GLA P06280 2/20 0.38
POLB P06746 2/20 0.38
CXCR5 P32302 2/20 0.38
CCR6 P51684 2/20 0.38
BLM P54132 2/20 0.38
UBE2N P61088 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
CYP1A2 P05177 2/20 0.38

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
SCHEMBL3030901 1.00 SPHK2 (0.38) SPHK2SPHK1MEN1KMT2AMAPT
SCHEMBL28510464 0.88 TAS1R3 (0.37) SPHK2SPHK1MEN1KMT2AMAPT
SCHEMBL9457915 0.85 SPHK2 (0.48) SPHK2SPHK1MEN1KMT2AMAPT
SCHEMBL9457903 0.85 SPHK2 (0.48) SPHK2SPHK1MEN1KMT2AMAPT
SCHEMBL9458483 0.83 SPHK2 (0.56) SPHK2SPHK1MEN1KMT2AMAPT
SCHEMBL9458491 0.83 SPHK2 (0.56) SPHK2SPHK1MEN1KMT2AMAPT
SCHEMBL11972839 0.78 TSHR (0.33) MEN1KMT2AALDH1A1CYP3A4TAS1R3
SCHEMBL7782283 0.78
SCHEMBL9713123 0.78 TSHR (0.33) MEN1KMT2AALDH1A1CYP3A4TAS1R3
SCHEMBL5370849 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198390-B2 Self assembled grafted polymeric layer for use in biosensor technology IMEC (BE) 2012-06-12 US disclosed
US-20100204415-A1 SELFASSEMBLED GRAFTED POLYMERIC LAYER FOR USE IN BIOSENSOR TECHNOLOGY IMEC (BE) 2010-08-12 US disclosed
US-7728094-B2 Selfassembled grafted polymeric layer for use in biosensor technology IMEC (BE) 2010-06-01 US disclosed
US-20060252094-A1 Selfassembled grafted polymeric layer for use in biosensor technology IMEC (BE) 2006-11-09 US disclosed
EP-0559859-B1 FLUOROBENZONITRILES AND LIQUID CRYSTALLINE MIXTURES CONTAINING THEM MERCK PATENT GMBH (DE) 1999-12-08 EP disclosed
US-5447658-A Tricyclic fluorobenzonitrile derivatives HOFFMAN-LA ROCHE INC. (US) 1995-09-05 US disclosed
US-5238602-A Electrooptical cells HOFFMANN LA ROCHE INC. (US) 1993-08-24 US disclosed
US-5013478-A Electromagnetic radiation resistance; miscibility; dielectrics; rotation and guest/host cells HOFFMANN-LA ROCHE INC. (US) 1991-05-07 US disclosed
US-4980486-A Phenyl isothiocyanates HOFFMANN-LA ROCHE INC. (US) 1990-12-25 US disclosed
EP-0168683-B1 LIQUID CRYSTALS WITH ALKENYL OR ALKENYLOXY GROUPS F. HOFFMANN-LA ROCHE AG (CH) 1990-11-28 EP disclosed
US-4915480-A Liquid crystalline compounds and mixtures MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-04-10 US disclosed
EP-0172360-B1 CYCLOHEXANECARBONITRILES AND THEIR USE AS COMPONENTS FOR LIQUID CRYSTALS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-11-09 EP disclosed
EP-0169327-B1 PHENYLISOTHIOCYANATES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-01-13 EP disclosed
EP-0122389-B1 LIQUID CRYSTAL COMPONENTS HAVING AN ALKENYL CHAIN F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-08-05 EP disclosed
US-4676604-A RADIATION RESISTANCE; MISCIBILITY; ROTATION ELECTROPTICAL CELLS HOFFMANN-LA ROCHE INC. (US) 1987-06-30 US disclosed
EP-0172360-A2 Cyclohexanecarbonitriles and their use as components for liquid crystals F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-02-26 EP disclosed
EP-0169327-A2 Phenylisothiocyanates F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-01-29 EP disclosed
US-4565425-A Liquid crystals HOFFMANN-LA ROCHE INC. (US) 1986-01-21 US disclosed
EP-0122389-A2 Liquid crystal components having an alkenyl chain F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-10-24 EP disclosed