SCHEMBL31344503

SCHEMBL31344503

CCCCCCCCOc1cc(Br)cc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.53
BLM P54132 1/20 0.50
NR5A1 Q13285 1/20 0.50
TSHR P16473 2/20 0.49
TP53 P04637 1/20 0.44
LTA4H P09960 3/20 0.44
SMPD1 P17405 3/20 0.44
GGPS1 O95749 1/20 0.44
PLA2G4B P0C869 1/20 0.43
THRA P10827 1/20 0.42
THRB P10828 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
SCHEMBL28405359 1.00 PLA2G2A (0.53) PLA2G2ABLMNR5A1TSHRTP53
SCHEMBL27932265 1.00 PLA2G2A (0.53) PLA2G2ABLMNR5A1TSHRTP53
SCHEMBL14732481 1.00 PLA2G2A (0.53) PLA2G2ABLMNR5A1TSHRTP53
SCHEMBL20148279 0.96 PLA2G2A (0.58) PLA2G2ABLMNR5A1TSHRTP53
SCHEMBL30464049 0.96 PLA2G2A (0.58) PLA2G2ABLMNR5A1TSHRTP53
SCHEMBL2146865 0.91 LTA4H (0.45) PLA2G2ABLMNR5A1TSHRLTA4H
SCHEMBL20148280 0.89 PLA2G2A (0.47) PLA2G2ABLMNR5A1TSHRTP53
SCHEMBL27743473 0.87 PLA2G2A (0.46) PLA2G2ABLMNR5A1TSHRTP53
SCHEMBL16118252 0.87 PLA2G2A (0.47) PLA2G2ABLMNR5A1TSHRLTA4H
SCHEMBL27764258 0.85 PLA2G2A (0.44) PLA2G2ABLMNR5A1TSHRTP53

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
CN-119350338-A Amide macrocycle for fluoride ion identification and preparation method and application thereof 山东省科学院新材料研究所 2025-01-24 CN disclosed