SCHEMBL7634574

SCHEMBL7634574

C=C(C(=O)O)C(C)N(CCCC)CCCC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38
CA1 P00915 3/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
TSHR P16473 2/20 0.32
ACE2 Q9BYF1 1/20 0.32
ALOX15 P16050 1/20 0.32
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32
AKR1B1 P15121 1/20 0.32
KDM5A P29375 2/20 0.32
KDM4C Q9H3R0 1/20 0.32
GPR84 Q9NQS5 3/20 0.31
FFAR1 O14842 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
SCHEMBL8361131 0.92 TSHR (0.38) TSHRACE2ALOX15GPR84FFAR1
SCHEMBL2828450 0.85 MMP1 (0.36) MMP1MMP2MMP3MMP8CA1
SCHEMBL5690095 0.82 KDM4C (0.38) CA1KDM4C
SCHEMBL28856644 0.81 MMP1 (0.42) MMP1MMP2MMP3MMP8CA1
SCHEMBL28856645 0.81 MMP1 (0.42) MMP1MMP2MMP3MMP8CA1
SCHEMBL127513 0.79 PGR (0.47) MMP1MMP2MMP3MMP8TSHR
SCHEMBL8523775 0.75 ACE2 (0.42) TSHRACE2ALOX15CA2MAPK1
SCHEMBL10973416 0.75 ACE2 (0.42) TSHRACE2ALOX15CA2MAPK1
SCHEMBL8524074 0.75 ACE2 (0.42) TSHRACE2ALOX15CA2MAPK1
SCHEMBL28847191 0.75 CA1 (0.42) MMP1MMP2MMP3MMP8CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968245-B1 REDISPERSABLE POLYACRYLATE-BASED DISPERSION POWDER BUNA SOW LEUNA OLEFINVERB GMBH (DE) 2002-02-27 EP claimed
EP-0415055-B1 Water-soluble pressure-sensitive skin adhesive ROEHM GMBH (DE) 1994-12-14 EP disclosed
EP-0415055-A2 Water-soluble pressure-sensitive skin adhesive RÖHM GMBH (DE) 1991-03-06 EP disclosed
US-4074041-A ADDING STRONG ACID SALT OF CALCIUM, MAGNESIUM OR BARIUM MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-02-14 US disclosed