SCHEMBL8377243

SCHEMBL8377243

COCCOc1c(C(Br)C(=O)O)cc(OC)c(C#N)c1OCCOC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.38
HPGD P15428 2/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
SRC P12931 2/20 0.33
ALDH1A1 P00352 5/20 0.32
HSD17B10 Q99714 2/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
NPC1 O15118 1/20 0.32
BRD4 O60885 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
SCHEMBL8377231 0.73 IDO1 (0.35) TNFRSF1AHPGDMAPK8MAPK9MAPK10
SCHEMBL8378890 0.72 ALDH1A1 (0.40) TNFRSF1AMAPK8MAPK9MAPK10MAPT
SCHEMBL8378504 0.69 ALDH1A1 (0.34) TNFRSF1AHPGDMAPK8MAPK9MAPK10
SCHEMBL8677374 0.65 MAPT (0.40) TNFRSF1AMAPTSMN1; SMN2L3MBTL1TP53
Glycolic Acid SCHEMBL8382549 0.61 HPGD (0.46) TNFRSF1AHPGDRAB9AL3MBTL1TP53
SCHEMBL7468522 0.60 KMT2A (0.53) HPGDRAB9ASMN1; SMN2L3MBTL1TP53
SCHEMBL28256427 0.60 CA12 (0.60) MAPTRAB9AALDH1A1TSHRHTT
SCHEMBL945054 0.60 ALB (0.45) HPGDMAPTALDH1A1KMT2A
SCHEMBL8044771 0.60 FDPS (0.44) MAPK8MAPK9MAPK10MAPTRAB9A
SCHEMBL9202490 0.59 CA2 (0.48) TNFRSF1AHPGDMAPTALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5883248-A QUATERNARY AMMONIUM INTERMEDIATES ROUSSEL UCLAF (FR) 1999-03-16 US disclosed
US-5763617-A Cephalosporins ROUSSEL UCLAF (FR) 1998-06-09 US disclosed
US-5728828-A A 3-(3-CHLORO- OR IODOPROP-1-EN-1-YL),7-(2-AMINOTHIAZOL-4-YL) ((CARBOXY)(PHENYL)METHOXYIMINO)ACETAMIDO-3-CEPHEM; GRAMNEGATIVE AND -POSITIVE BACTERIA, ESP. ANTIBIOTIC-RESISTANCE STAPHYLOCOCCUS ROUSSEL UCLAF (FR) 1998-03-17 US disclosed
US-5712266-A Cephalosporins ROUSSEL UCLAF (FR) 1998-01-27 US disclosed