SCHEMBL8500577

SCHEMBL8500577

CCCC[N+](CCCC)(C(C)O)C(C)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 3/20 0.43
TSHR P16473 2/20 0.40
SLC22A2 O15244 1/20 0.36
DNM1 Q05193 2/20 0.36
SPHK1 Q9NYA1 1/20 0.34
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.33

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 SCHEMBL8500446 0.97 SLC22A1 (0.41) SLC22A1TSHRSLC22A2DNM1SPHK1
Bromide SCHEMBL3028711 0.97 SLC22A1 (0.41) SLC22A1TSHRSLC22A2DNM1SPHK1
Water SCHEMBL17222518 0.87 SLC22A1 (0.48) SLC22A1TSHRSLC22A2DNM1HSD17B10
Hydrochloric Acid SCHEMBL4603559 0.87 DNM1 (0.48) SLC22A1TSHRSLC22A2DNM1HSD17B10
Hydrochloric Acid SCHEMBL2772679 0.87 DNM1 (0.48) SLC22A1TSHRSLC22A2DNM1HSD17B10
Bromide SCHEMBL557385 0.87 ALDH1A1 (0.52) SLC22A1TSHRDNM1HSD17B10ALDH1A1
SCHEMBL3850922 0.82 TSHR (0.44) SLC22A1TSHRHSD17B10ALDH1A1TDP1
SCHEMBL17222516 0.80 SLC22A1 (0.41) SLC22A1TSHRSLC22A2DNM1HSD17B10
Hydrochloric Acid SCHEMBL11582879 0.80 TSHR (0.42) SLC22A1TSHRHSD17B10ALDH1A1TDP1
Water SCHEMBL11564418 0.80 TSHR (0.42) SLC22A1TSHRHSD17B10ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824631-B1 METHOD FOR INHIBITING THE PLUGGING OF CONDUITS BY GAS HYDRATES SHELL INT RESEARCH (NL) 1999-07-14 EP disclosed
EP-0824631-A1 METHOD FOR INHIBITING THE PLUGGING OF CONDUITS BY GAS HYDRATES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1998-02-25 EP disclosed
WO-1996034177-A1 METHOD FOR INHIBITING THE PLUGGING OF CONDUITS BY GAS HYDRATES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1996-10-31 WO disclosed