SCHEMBL7708915

SCHEMBL7708915

Cc1cccc2c1CCC(C)C(C(=O)O)=C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
HCAR2 Q8TDS4 2/20 0.34
NOTUM Q6P988 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BRD4 O60885 1/20 0.33
EPHX1 P07099 1/20 0.33
MAPT P10636 2/20 0.32
FFAR1 O14842 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
CCR2 P41597 1/20 0.32
MYC P01106 1/20 0.31
CNR2 P34972 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL7708991 0.84 NOTUM (0.35) HCAR2NOTUMALDH1A1HPGDFFAR1
SCHEMBL7708902 0.77 L3MBTL1 (0.36) ALDH1A1KDM4EHPGDHSD17B10EPHX1
SCHEMBL7708985 0.71 PTGS2 (0.44) ACHENOTUMALDH1A1CCR2
SCHEMBL7712840 0.70 TSHR (0.37) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL31381442 0.68 ALDH1A1 (0.39) NOTUMALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7708884 0.67 SRD5A1 (0.40) NOTUMHTR2CHTR2B
SCHEMBL413037 0.67 ADRA2A (0.49) ACHEALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL8693355 0.65 ACHE (0.69) ACHEKDM4EMAPTADRA2AADRA2B
SCHEMBL5145610 0.63 HCAR2 (0.40) HCAR2NOTUMALDH1A1KDM4EHPGD
SCHEMBL14345575 0.63 DDB1 (0.37) HCAR2NOTUMALDH1A1KDM4EHPGD

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
US-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 US disclosed
EP-1083166-A1 NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-14 EP disclosed