SCHEMBL8177653

SCHEMBL8177653

CC(C)OC(=O)c1[nH]c2ccnn2c(=O)c1CCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ADORA3 P0DMS8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 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
SCHEMBL8186780 0.87 DHODH (0.33) CYP4F2CYP4A11NPC1ADORA3KDM4E
SCHEMBL8190377 0.84 IGF1R (0.33) ADRA1AADRA1B
SCHEMBL8193219 0.73 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL22996403 0.66 BRD4 (0.33) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2160110 0.60 CYP4F2 (0.51) CYP4F2CYP4A11ALDH1A1HPGDHSD17B10
SCHEMBL23900661 0.59 CA12 (0.41) MMP1MMP2MMP9MMP12NPC1
SCHEMBL8187093 0.59 PDE4A (0.37) CYP4F2CYP4A11NPC1RAB9AALDH1A1
SCHEMBL3977225 0.58 CYP4A11 (1.00) CYP4F2CYP4A11NPC1RAB9AALDH1A1
SCHEMBL10438609 0.57 KDM4E (0.36) KDM4ENPSR1
SCHEMBL29113516 0.56 GPR17 (0.48) KDM4EALDH1A1HPGDHSD17B10TUBB4A

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-6057330-A USEFUL FOR THE PREVENTION AND TREATMENT OF A RESPIRATORY DISEASES REPRESENTED BY ASTHMA POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-05-02 US disclosed
US-5942515-A RESPIRATORY SYSTEM DISORDERS POLA CHEMICAL INDUSTRIES, INC. (JP) 1999-08-24 US disclosed