SCHEMBL19631077

SCHEMBL19631077

CCCCCCCCCCC(C)CCCCCCCNCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
ACE2 Q9BYF1 1/20 0.47
ADH1B P00325 2/20 0.44
ADH1C P00326 2/20 0.44
ADH1A P07327 2/20 0.44
ADH4 P08319 2/20 0.44
ADH7 P40394 2/20 0.44
S1PR2 O95136 5/20 0.42
S1PR4 O95977 5/20 0.42
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 5/20 0.42
S1PR5 Q9H228 1/20 0.42
EPHX1 P07099 3/20 0.41
DNM1 Q05193 2/20 0.41
PAOX Q6QHF9 1/20 0.41
OPRM1 P35372 1/20 0.39
ANPEP P15144 1/20 0.38
ERAP2 Q6P179 1/20 0.38
PRKD3 O94806 1/20 0.38

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
SCHEMBL21952707 1.00 ALDH1A1 (0.56) ALDH1A1TSHRACE2ADH1BADH1C
SCHEMBL18521762 1.00 ALDH1A1 (0.56) ALDH1A1TSHRACE2ADH1BADH1C
SCHEMBL21695004 0.96 TSHR (0.50) ALDH1A1TSHRACE2ADH1BADH1C
SCHEMBL18721219 0.96 TSHR (0.62) ALDH1A1TSHRACE2ADH1BADH1C
SCHEMBL12479972 0.96 TSHR (0.62) ALDH1A1TSHRACE2ADH1BADH1C
SCHEMBL12478863 0.96 TSHR (0.62) ALDH1A1TSHRACE2ADH1BADH1C
SCHEMBL18615410 0.96 TSHR (0.62) ALDH1A1TSHRACE2ADH1BADH1C
SCHEMBL20427541 0.96 TSHR (0.62) ALDH1A1TSHRACE2ADH1BADH1C
SCHEMBL24653400 0.93 TSHR (0.59) ALDH1A1TSHRACE2ADH1BADH1C
SCHEMBL20130405 0.93 TSHR (0.59) ALDH1A1TSHRACE2ADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017201325-A1 COMBINATIONS OF MRNAS ENCODING IMMUNE MODULATING POLYPEPTIDES AND USES THEREOF MODERNATX, INC. (US) 2017-11-23 WO disclosed