SCHEMBL14848719

SCHEMBL14848719

CCCCCOc1cc(OC)cc(OCCCCC)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.58
PLA2G2A P14555 2/20 0.56
ALDH1A1 P00352 1/20 0.50
CNR1 P21554 9/20 0.49
CNR2 P34972 9/20 0.49
BLM P54132 1/20 0.49
NR5A1 Q13285 1/20 0.48
PTGS2 P35354 1/20 0.47
TSHR P16473 1/20 0.47
LTA4H P09960 2/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL28360552 0.98 PLA2G2A (0.59) AHRPLA2G2AALDH1A1CNR1CNR2
SCHEMBL23457915 0.93 AHR (0.65) AHRPLA2G2AALDH1A1CNR1CNR2
SCHEMBL26976511 0.93 AHR (0.65) AHRPLA2G2AALDH1A1CNR1CNR2
SCHEMBL8778527 0.90 AHR (0.50) AHRPLA2G2AALDH1A1CNR1CNR2
SCHEMBL8956129 0.90 CNR2 (0.53) AHRPLA2G2ACNR1CNR2BLM
SCHEMBL11802654 0.89 PTGS2 (0.60) PLA2G2ACNR1CNR2NR5A1PTGS2
SCHEMBL9698424 0.89 PTGS2 (0.60) PLA2G2ACNR1CNR2NR5A1PTGS2
SCHEMBL14566077 0.89 PLA2G2A (0.51) AHRPLA2G2AALDH1A1CNR1CNR2
SCHEMBL9016884 0.88 PLA2G2A (0.68) PLA2G2AALDH1A1CNR1CNR2BLM
SCHEMBL18886699 0.88 PLA2G2A (0.68) PLA2G2AALDH1A1CNR1CNR2BLM

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-20130090469-A1 GREEN ZINC PORPHYRIN SENSITIZERS AND THEIR APPLICATIONS NATIONAL CHUNG HSING UNIVERSITY (TW) 2013-04-11 US disclosed