SCHEMBL8476252

SCHEMBL8476252

CC(=O)Oc1ccc(C(=O)OCCl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.53
HSD17B10 Q99714 1/20 0.51
LMNA P02545 1/20 0.50
KMT2A Q03164 5/20 0.47
MEN1 O00255 2/20 0.46
ESR1 P03372 2/20 0.46
PGR P06401 1/20 0.46
CHRM2 P08172 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
AR P10275 1/20 0.46
CHRM1 P11229 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL13133231 0.85 ELANE (0.56) ELANEHSD17B10LMNAKMT2AMEN1
SCHEMBL1176935 0.84 CA12 (0.61) ELANEHSD17B10LMNAKMT2AMEN1
SCHEMBL1243626 0.82 ESR1 (0.50) LMNAKMT2AMEN1ESR1CHRM1
SCHEMBL9446645 0.82 LMNA (0.57) ELANEHSD17B10LMNAKMT2AMEN1
SCHEMBL6704208 0.81 CA1 (0.62) KMT2AMEN1MAPTRAB9ASMN1; SMN2
SCHEMBL28798457 0.81 ELANE (0.51) ELANEHSD17B10LMNAKMT2AMEN1
SCHEMBL9446681 0.81 LMNA (0.56) ELANELMNAKMT2AMEN1ESR1
SCHEMBL4644691 0.81 ALDH1A1 (0.64) ELANEHSD17B10LMNAKMT2AMEN1
SCHEMBL8850878 0.81 ELANE (0.64) ELANEHSD17B10LMNAKMT2AMEN1
SCHEMBL9760675 0.81 ELANE (0.64) ELANEHSD17B10LMNAKMT2AMEN1

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-5981558-A ANTIMICROBIAL ACTIVITY AND ANTITUMOR ACTIVITY KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-11-09 US disclosed
EP-0918058-A1 DC 107 DERIVATIVES (1) KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-05-26 EP disclosed