SCHEMBL7733842

SCHEMBL7733842

CC(=O)NC(CC(C)C)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.69
LMNA P02545 2/20 0.69
KMT2A Q03164 2/20 0.50
OPRM1 P35372 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MTNR1A P48039 7/20 0.46
MTNR1B P49286 7/20 0.46

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
SCHEMBL13996050 1.00 ALDH1A1 (0.69) ALDH1A1LMNAKMT2AOPRM1SMN1; SMN2
SCHEMBL4629636 0.88 LMNA (0.54) ALDH1A1LMNAKMT2ASMN1; SMN2MTNR1A
SCHEMBL4629634 0.88 LMNA (0.54) ALDH1A1LMNAKMT2ASMN1; SMN2MTNR1A
SCHEMBL5440679 0.88 LMNA (0.54) ALDH1A1LMNAKMT2ASMN1; SMN2MTNR1A
SCHEMBL186238 0.81 LMNA (0.61) ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL186416 0.81 LMNA (0.61) ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL186230 0.81 LMNA (0.61) ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL607611 0.81 RIPK1 (0.61) LMNAKMT2ASMN1; SMN2
SCHEMBL8582093 0.81 RIPK1 (0.61) LMNAKMT2ASMN1; SMN2
SCHEMBL607610 0.81 RIPK1 (0.61) LMNAKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809824-B2 CpG oligonucleotide prodrugs, compositions thereof and associated therapeutic methods THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-11-07 US disclosed
US-6399787-B1 TRANSITION METAL COMPLEX PENN STATE RESEARCH FOUNDATION 2002-06-04 US disclosed
WO-1999059721-A1 CATALYTIC ASYMMETRIC HYDROGENATION, HYDROFORMYLATION, AND HYDROVINYLATION VIA TRANSITION METAL CATALYSTS WITH PHOSPHINES AND PHOSPHITES THE PENN STATE RESEARCH FOUNDATION (US) 1999-11-25 WO disclosed