SCHEMBL11033445

SCHEMBL11033445

CCN(C(=O)CCl)c1cccc(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.53
MTNR1B P49286 11/20 0.53
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
PAX8 Q06710 2/20 0.48
TP53 P04637 2/20 0.48
GPX4 P36969 1/20 0.48
ESR1 P03372 1/20 0.47
RNF4 P78317 1/20 0.47
HTT P42858 2/20 0.47
JAK2 O60674 1/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 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
SCHEMBL9133855 0.86 MTNR1A (0.51) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL28970975 0.85 KDM4E (0.52) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL21894115 0.83 MTNR1A (0.55) MTNR1AMTNR1BESR1SMN1; SMN2
SCHEMBL9515298 0.83 MTNR1A (0.51) MTNR1AMTNR1BESR1ALOX15
SCHEMBL11030800 0.82 HSD17B2 (0.56) MTNR1AMTNR1B
SCHEMBL28129412 0.82 MTNR1A (0.52) MTNR1AMTNR1BESR1ALOX15
SCHEMBL31186740 0.80 ALDH1A1 (0.55) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL9134008 0.80 MTNR1A (0.46) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL18338240 0.80 ALDH1A1 (0.70) ALDH1A1NPC1RAB9APAX8TP53
SCHEMBL27876348 0.79 ALDH1A1 (0.54) MTNR1AMTNR1BALDH1A1NPC1RAB9A

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-0127634-A1 PYRROLOCOUMARIN DERIVATIVES, THEIR MANUFACTURE AND UTILISATION KATHOLIEKE UNIVERSITEIT TE LEUVEN (BE) 1984-12-12 EP disclosed
WO-1984002133-A1 PYRROLOCOUMARIN DERIVATIVES, THEIR MANUFACTURE AND UTILISATION UNIV LEUVEN KATH (BE) 1984-06-07 WO disclosed