SCHEMBL7106093

SCHEMBL7106093

O=C(NCc1ccccc1)C1(CNCc2cccc(O)c2)CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.48
ERCC4 Q92889 1/20 0.48
MMP1 P03956 2/20 0.44
SLC2A4 P14672 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.41
HIF1A Q16665 1/20 0.41
NLRP3 Q96P20 1/20 0.41
HPGD P15428 2/20 0.40
EPHX1 P07099 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
PPARG P37231 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL7103181 0.90 CYP3A4 (0.45) ERCC1ERCC4MMP1MMP2MMP9
SCHEMBL7106096 0.77 ERCC1 (0.42) ERCC1ERCC4MMP1MMP2MMP9
SCHEMBL11230906 0.75 ADRB2 (0.44) ERCC1ERCC4HIF1ANPC1RAB9A
SCHEMBL20509339 0.73 MMP8 (0.52) ERCC1ERCC4MMP1MMP2MMP9
SCHEMBL30267678 0.73 MMP8 (0.52) ERCC1ERCC4MMP1MMP2MMP9
SCHEMBL4388189 0.72 ERCC1 (0.53) ERCC1ERCC4MMP8HPGDEPHX1
SCHEMBL7106098 0.70 OPRK1 (0.53) ERCC1ERCC4MMP1MMP2MMP9
SCHEMBL7435493 0.70 MMP8 (0.57) ERCC1ERCC4MMP8HPGDEPHX1
SCHEMBL16839634 0.70 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2
SCHEMBL2806074 0.70 CYP1A2 (0.59) MMP1SLC2A4MMP2MMP9HIF1A

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-1055665-B1 3-(3-Hydroxyphenyl)-3-amino-propionamide derivatives PFIZER PROD INC (US) 2003-10-22 EP disclosed
EP-1055665-A1 3-(3-Hydroxyphenyl)-3-amino-propionamide derivatives Pfizer Products Inc. (US) 2000-11-29 EP disclosed