SCHEMBL4965849

SCHEMBL4965849

CCCCCc1ccc(C#Cc2ccc(C[NH+]([O-])Cc3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
FAAH O00519 1/20 0.39
PLK1 P53350 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
ESR1 P03372 2/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
TACR2 P21452 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SHBG P04278 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 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
SCHEMBL5044440 0.91 TAAR1 (0.40) TAAR1FFAR1PTGDR2MIF
SCHEMBL17225164 0.89 HSD17B10 (0.49) HSD17B10TSHRFAAHPLK1HDAC1
SCHEMBL5044254 0.85 FFAR1 (0.47) HSD17B10TSHRFFAR1PTGDR2MMP2
SCHEMBL5043877 0.81 MAOB (0.43) ALDH1A1LMNACYP3A4
SCHEMBL5039909 0.80 HSD17B10 (0.44) HSD17B10TSHRFAAHPLK1HDAC1
SCHEMBL1855128 0.80 S1PR1 (0.50) HSD17B10TSHRFAAHPLK1HDAC1
SCHEMBL5044821 0.80 HSD17B10 (0.44) HSD17B10TSHRFAAHPLK1HDAC1
SCHEMBL1854388 0.80 S1PR1 (0.50) HSD17B10TSHRFAAHPLK1HDAC1
SCHEMBL5047560 0.80 TAAR1 (0.46) TAAR1CA2FDFT1MIF
SCHEMBL2089930 0.80 TAAR1 (0.55) HSD17B10FAAHPLK1HDAC1HDAC8

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-1904048-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2008-04-02 EP disclosed
WO-2007009959-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2007-01-25 WO disclosed