SCHEMBL9294752

SCHEMBL9294752

C=CCSCCCCCO

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.33
TRPA1 O75762 2/20 0.33
CYP3A4 P08684 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 1/20 0.33
LMNA P02545 2/20 0.31
TSHR P16473 2/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL2516791 1.00 ALOX5 (0.46) ALOX5SMN1; SMN2ALDH1A1TRPA1CYP3A4
SCHEMBL3479395 1.00 ALOX5 (0.46) ALOX5SMN1; SMN2ALDH1A1TRPA1CYP3A4
SCHEMBL2523561 1.00 ALOX5 (0.46) ALOX5SMN1; SMN2ALDH1A1TRPA1CYP3A4
SCHEMBL3479329 1.00 ALOX5 (0.46) ALOX5SMN1; SMN2ALDH1A1TRPA1CYP3A4
SCHEMBL4529352 0.90
1,6-Hexanediol SCHEMBL28274757 0.87 SMN1; SMN2 (0.61) ALOX5SMN1; SMN2ALDH1A1TRPA1CYP3A4
SCHEMBL3479692 0.87 ALOX5 (0.59) ALOX5SMN1; SMN2ALDH1A1TRPA1CYP3A4
SCHEMBL4157460 0.87 ALOX5 (0.59) ALOX5SMN1; SMN2ALDH1A1TRPA1CYP3A4
SCHEMBL3479153 0.87 ALOX5 (0.59) ALOX5SMN1; SMN2ALDH1A1TRPA1CYP3A4
SCHEMBL453366 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0234923-B1 IMPROVED LUBRICATING OIL COMPOSITION EXXON RESEARCH AND ENGINEERING COMPANY (US) 1990-09-05 EP claimed
EP-0234923-A2 Improved lubricating oil composition EXXON RESEARCH AND ENGINEERING COMPANY (US) 1987-09-02 EP claimed
EP-0224077-A1 Plant growth regulating agent BAYER AG (DE) 1987-06-03 EP claimed
US-5330667-A Dispersants, reaction product of tetraethylenepentamine, isostearic acid and polyisobutenyl succinic anhydride EXXON CHEMICAL PATENTS INC. (US) 1994-07-19 US disclosed
EP-0234923-B1 IMPROVED LUBRICATING OIL COMPOSITION EXXON RESEARCH AND ENGINEERING COMPANY (US) 1990-09-05 EP disclosed
US-4764294-A PHOSPHATE CARBAMATE EXXON RESEARCH AND ENGINEERING COMPANY (US) 1988-08-16 US disclosed
EP-0234923-A2 Improved lubricating oil composition EXXON RESEARCH AND ENGINEERING COMPANY (US) 1987-09-02 EP disclosed
EP-0234923-A2 Improved lubricating oil composition EXXON RESEARCH AND ENGINEERING COMPANY (US) 1987-09-02 EP disclosed