SCHEMBL4584791

SCHEMBL4584791

CCCCCCCCC(CCCCCCCCCN)C(C)N

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.57
DNM1 Q05193 8/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
EPHX1 P07099 1/20 0.56
OPRM1 P35372 1/20 0.50
GNAI3 P08754 1/20 0.46
GNAO1 P09471 1/20 0.46
GNAI1 P63096 1/20 0.46
TRPV1 Q8NER1 1/20 0.43
TRPA1 O75762 1/20 0.43
TP53 P04637 1/20 0.41

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
SCHEMBL9192067 0.96 SPHK1 (0.57) SPHK1DNM1MEN1KMT2AALDH1A1
SCHEMBL25831975 0.91 SPHK1 (0.60) SPHK1DNM1TSHROPRM1TRPV1
SCHEMBL2338645 0.91 SPHK1 (0.60) SPHK1DNM1TSHROPRM1TRPV1
SCHEMBL25983231 0.91 SPHK1 (0.60) SPHK1DNM1TSHROPRM1TRPV1
SCHEMBL19441327 0.91 SPHK1 (0.60) SPHK1DNM1TSHROPRM1TRPV1
SCHEMBL2328466 0.91 SPHK1 (0.60) SPHK1DNM1TSHROPRM1TRPV1
SCHEMBL2332779 0.91 SPHK1 (0.60) SPHK1DNM1TSHROPRM1TRPV1
SCHEMBL12728004 0.91 SPHK1 (0.60) SPHK1DNM1TSHROPRM1TRPV1
SCHEMBL21217006 0.91 SPHK1 (0.60) SPHK1DNM1TSHROPRM1TRPV1
Hydrochloric Acid SCHEMBL4381326 0.89 SPHK1 (0.58) SPHK1DNM1TSHROPRM1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097464-B1 POLYAMIDE POLYOLS AND POLYURETHANES, METHODS FOR MAKING AND USING, AND PRODUCTS MADE THEREFROM ARIZONA CHEM (US) 2013-09-11 EP claimed
EP-1975217-A2 Flame-retardant adhesive and sealing substances Clariant International Ltd. (CH) 2008-10-01 EP disclosed