SCHEMBL4967360

SCHEMBL4967360

[CH2]c1ccc(C#Cc2ccc(CCCC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.46
TSHR P16473 1/20 0.46
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
FFAR1 O14842 2/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 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
SCHEMBL6022643 0.93 HSD17B10 (0.56) HSD17B10TSHRALDH1A1FFAR1THRA
SCHEMBL6719413 0.93 HSD17B10 (0.56) HSD17B10TSHRALDH1A1FFAR1THRA
SCHEMBL7504954 0.90 HSD17B10 (0.53) HSD17B10TSHRCA2CA1ALDH1A1
SCHEMBL9328426 0.90 HSD17B10 (0.53) HSD17B10TSHRCA2CA1ALDH1A1
SCHEMBL9508729 0.88 HSD17B10 (0.52) HSD17B10TSHRCA2CA1ALDH1A1
SCHEMBL97681 0.88 CA2 (0.54) HSD17B10CA2CA1ALDH1A1HPGD
SCHEMBL9327020 0.86 HSD17B10 (0.59) HSD17B10TSHRCA2CA1ALDH1A1
SCHEMBL7900542 0.86 HSD17B10 (0.59) HSD17B10TSHRCA2CA1ALDH1A1
SCHEMBL9328415 0.86 HSD17B10 (0.50) HSD17B10TSHRCA2CA1ALDH1A1
SCHEMBL4650975 0.86 HSD17B10 (0.50) HSD17B10TSHRCA2CA1ALDH1A1

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 6 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 claimed
EP-1756081-A1 1,1'-(1,2-ETHYNEDIYL)BIS-BENZENE DERIVATIVES AS PTP 1-B INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2007-02-28 EP claimed
WO-2007009959-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2007-01-25 WO claimed
WO-2005097773-A1 1,1’-(1,2-ETHYNEDIYL)BIS-BENZENE DERIVATIVES AS PTP 1-B INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-10-20 WO claimed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed