SCHEMBL9208301

SCHEMBL9208301

CCCCCCCCNCC(C)CCCC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 2/20 0.50
ANPEP P15144 1/20 0.46
ERAP2 Q6P179 1/20 0.46
EPHX1 P07099 4/20 0.41
ADH1B P00325 2/20 0.41
ADH1C P00326 2/20 0.41
ADH1A P07327 2/20 0.41
ADH4 P08319 2/20 0.41
ADH7 P40394 2/20 0.41
DNM1 Q05193 2/20 0.41
CYP3A4 P08684 1/20 0.40
S1PR2 O95136 5/20 0.38
S1PR4 O95977 5/20 0.38
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 5/20 0.38
ACE2 Q9BYF1 1/20 0.38
S1PR5 Q9H228 1/20 0.38
DPP7 Q9UHL4 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
SCHEMBL23761565 1.00 TSHR (0.50) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL20036791 0.98 TSHR (0.52) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL22383716 0.96 TSHR (0.46) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL27283798 0.96 TSHR (0.50) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL24936448 0.96 TSHR (0.50) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL11507783 0.96 TSHR (0.50) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL26553450 0.96 TSHR (0.50) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL1930687 0.94 TSHR (0.54) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL17378045 0.91 TSHR (0.50) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL16362458 0.91 TSHR (0.50) TSHRALDH1A1ANPEPERAP2EPHX1

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
CN-117043136-A Fluorine-based ionic liquid and method for producing same 第一工业制药株式会社 2023-11-10 CN disclosed
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed