SCHEMBL9575939

SCHEMBL9575939

CCCCCCCC/C=C\CCCCCCCCC(C)[N+](C)(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.44
TRPV1 Q8NER1 1/20 0.44
TERT O14746 3/20 0.43
PTPN1 P18031 3/20 0.43
PPARG P37231 3/20 0.43
PPARD Q03181 3/20 0.43
PPARA Q07869 3/20 0.43
CYP1A2 P05177 2/20 0.43
MAPT P10636 2/20 0.43
CYP2C19 P33261 2/20 0.43
BLM P54132 2/20 0.43
HSD17B10 Q99714 2/20 0.43
FABP4 P15090 2/20 0.43
KMT2A Q03164 2/20 0.43
GMNN O75496 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43

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
Hydrochloric Acid SCHEMBL9575650 0.98 FAAH (0.42) FAAHTRPV1TERTPTPN1PPARG
Formic Acid SCHEMBL9794876 0.92 FAAH (0.46) FAAHTRPV1TERTCYP1A2MAPT
SCHEMBL9575956 0.88 SPHK1 (0.45) PPARDMAPTLMNAMMP2TP53
Glycolic Acid SCHEMBL9794795 0.88 FABP3 (0.51) FAAHCYP1A2MAPTCYP2C19BLM
Succinic Acid SCHEMBL9575747 0.88 FABP3 (0.59) FAAHTERTCYP1A2MAPTCYP2C19
Hydrochloric Acid SCHEMBL10713120 0.87 FAAH (0.42) FAAHTRPV1TERTPTPN1PPARG
Glycine SCHEMBL9575926 0.87 FABP3 (0.50) FAAHCYP1A2CYP2C19KMT2AMEN1
Hydrochloric Acid SCHEMBL11330087 0.86 SPHK1 (0.43) MAPTLMNAMMP2TP53FFAR1
Hydrochloric Acid SCHEMBL10663599 0.86 SPHK1 (0.43) MAPTLMNAMMP2TP53FFAR1
Hydrochloric Acid SCHEMBL9575630 0.86 SPHK1 (0.43) MAPTLMNAMMP2TP53FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3077851-A None JP disclosed
EP-0371406-B1 OXYALKYLATED QUATERNARY AMMONIUM COMPOUNDS, PROCESSES FOR PRODUCTION THEREOF, AND PLANT GROWTH REGULATING COMPOSITIONS CONTAINING SAID COMPOUNDS DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1993-08-04 EP disclosed
US-5076828-A Immersing seeds into quaternary solution prior to planting DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1991-12-31 US disclosed
JP-H0377851-A NEW OXYALKYLATED QUATERNARY AMMONIUM COMPOUND, ITS PRODUCTION AND PLANT GROWTH REGULATOR COMPRISING THE SAME COMPOUND AS ACTIVE INGREDIENT DAI ICHI KOGYO SEIYAKU CO LTD 1991-04-03 JP disclosed
EP-0371406-A1 Oxyalkylated quaternary ammonium compounds, processes for production thereof, and plant growth regulating compositions containing said compounds DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1990-06-06 EP disclosed