SCHEMBL9587254

SCHEMBL9587254

CCCCCCCCNCCCCCCNCC(N)(CC)CC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
S1PR2 O95136 5/20 0.41
S1PR4 O95977 5/20 0.41
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 5/20 0.41
S1PR5 Q9H228 1/20 0.41
RELA Q04206 4/20 0.41
EPHX1 P07099 3/20 0.40
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH4 P08319 1/20 0.40
ADH7 P40394 1/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 1/20 0.37
PPARA Q07869 2/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL29735755 0.98 TSHR (0.50) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL25989958 0.81 TSHR (0.56) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL9586804 0.80 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL29735766 0.78 TSHR (0.52) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL11082947 0.78 TSHR (0.52) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL5775194 0.78 TSHR (0.52) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL11095662 0.78 TSHR (0.52) ALDH1A1TSHRS1PR2S1PR4S1PR1
Methylamine SCHEMBL10526080 0.77 TSHR (0.81) ALDH1A1TSHRS1PR2S1PR4S1PR1
Methylamine SCHEMBL28641373 0.77 TSHR (0.81) ALDH1A1TSHRS1PR2S1PR4S1PR1
Methylamine SCHEMBL6867535 0.77 TSHR (0.81) ALDH1A1TSHRS1PR2S1PR4S1PR1

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
US-5189173-A ALKYLATED POLYALKYLENE POLYAMINES AND PROCESS FOR SELECTIVE ALKYLATION THE BFGOODRICH COMPANY (US) 1993-02-23 US claimed
EP-0309980-A1 Alkylated polyalkylene polyamines and process for selective alkylation THE B.F. GOODRICH COMPANY (US) 1989-04-05 EP claimed
US-4722806-A COMBINED WITH HINDERED PHENOLS THE B. F. GOODRICH COMPANY 1988-02-02 US disclosed
EP-0101735-B1 SUBSTITUTED OXO-PIPERAZINYL-TRIAZINES AND UV LIGHT STABILIZED COMPOSITIONS The B.F. GOODRICH Company (US) 1986-10-29 EP disclosed
US-4480092-A PHOTOSTABILITY THE B. F. GOODRICH COMPANY (US) 1984-10-30 US disclosed