SCHEMBL7909655

SCHEMBL7909655

CC1(C)CC(C(N)=O)c2cc(I)ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
FPR2 P25090 4/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPV1 Q8NER1 7/20 0.33
MAPT P10636 3/20 0.32
SIRT2 Q8IXJ6 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
SIRT1 Q96EB6 1/20 0.31
CFTR P13569 1/20 0.31
CYP3A4 P08684 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7913670 0.80 ATM (0.44) CNR1CNR2TRPV1ALDH1A1LMNA
SCHEMBL7900351 0.76 KCNE1 (0.41) CNR1CNR2MEN1KMT2AMAPT
SCHEMBL7909723 0.75 HDAC1 (0.41) CNR1CNR2
SCHEMBL7909660 0.74 TRPV1 (0.30) TRPV1
SCHEMBL7910189 0.74 KCNE1 (0.41) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL2184227 0.70 AKR1B1 (0.40) FPR2MEN1KMT2ATRPV1MAPT
SCHEMBL20480671 0.70 CYP3A4 (0.37) CNR1CNR2MEN1KMT2ATRPV1
SCHEMBL10382338 0.69 PTGDR2 (0.41) MEN1KMT2ATRPV1MAPTALDH1A1
SCHEMBL10382710 0.66 CTSD (0.39) TRPV1MAPTALDH1A1HTTTAAR1
SCHEMBL8946767 0.66 KCNE1 (0.37) MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6177449-B1 CARDIOVASCULAR DISORDERS; ANTIULCER AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-01-23 US disclosed