SCHEMBL7726536

SCHEMBL7726536

COc1cccc(NC(=O)C2CCCC2=O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.62
RECQL P46063 1/20 0.62
POLB P06746 1/20 0.58
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.53
CASP3 P42574 2/20 0.53
SENP7 Q9BQF6 2/20 0.53
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP6 Q9GZR1 1/20 0.52

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
SCHEMBL7726470 0.83 MAPK1 (0.61) CYP1A2RECQLPOLBNPC1RAB9A
SCHEMBL12302912 0.81 MTNR1A (0.73) POLBNPC1RAB9AMTNR1AMTNR1B
SCHEMBL4720318 0.80 MTNR1A (0.82) POLBNPC1RAB9AMTNR1AMTNR1B
SCHEMBL6070016 0.80 CYP1A2 (0.63) CYP1A2RECQLALDH1A1KMT2AMAPT
SCHEMBL7722861 0.80 CYP1A2 (0.63) CYP1A2RECQLPOLBNPC1RAB9A
SCHEMBL25938747 0.80 MTNR1A (0.71) POLBNPC1RAB9AMTNR1AMTNR1B
SCHEMBL30605277 0.80 MTNR1A (0.71) POLBNPC1RAB9AMTNR1AMTNR1B
SCHEMBL10742560 0.78 CYP1A2 (0.68) CYP1A2RECQLPOLBRAB9AALDH1A1
SCHEMBL22302859 0.78 ALDH1A1 (0.52) POLBNPC1RAB9AMTNR1AMTNR1B
SCHEMBL31300404 0.77 POLB (0.55) POLBNPC1RAB9AMTNR1AMTNR1B

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-6391887-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; CARDIOVASCULAR DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2002-05-21 US disclosed