SCHEMBL29355374

SCHEMBL29355374

Fc1ccc(C2=CC=CCC2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.40
PTGS2 P35354 9/20 0.38
PTGS1 P23219 6/20 0.38
TDP2 O95551 1/20 0.35
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35
RPA1 P27694 1/20 0.35
PGR P06401 2/20 0.33
KMO O15229 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CASP1 P29466 1/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32

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
SCHEMBL28274500 0.84 AHR (0.46) PTGS2PTGS1
SCHEMBL8181096 0.80 SIGMAR1 (0.38) PTGS2PTGS1
SCHEMBL30273027 0.77 HSD17B1 (0.42)
SCHEMBL14010787 0.76 MAPK14 (0.34) PTGS2PTGS1
SCHEMBL29327032 0.76 HTR2C (0.46)
SCHEMBL28084701 0.73 PTGES (0.34)
SCHEMBL13139758 0.72 CHRNB4 (0.40) NISCH
SCHEMBL25615298 0.71 CHUK (0.40) PTGS2PTGS1
SCHEMBL15517645 0.70 NISCH (0.49) NISCHPTGS2PTGS1TDP2ERCC1
SCHEMBL15384336 0.70 CYP3A4 (0.38)

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
EP-3941921-A1 THERAPEUTIC METHODS FOR TREATING HEPATITIS B Arbutus Biopharma Corporation (CA) 2022-01-26 EP disclosed