SCHEMBL25052883

SCHEMBL25052883

c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5c6ccc(-c7ccc(-c8ccc9oc%10cc%11c(cc%10c9c8)oc8ccccc8%11)cc7)cc6c6ccccc6c5c4)cc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.36
PLA2G4A P47712 3/20 0.36
PDK2 Q15119 4/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
MEN1 O00255 4/20 0.35
MAPT P10636 4/20 0.35
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 3/20 0.35
AHR P35869 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PLA2G10 O15496 1/20 0.33
LMNA P02545 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL25052384 1.00 PLA2G2A (0.36) PLA2G2APLA2G4APDK2MMP12MMP13
SCHEMBL25052953 0.99 HSP90AA1 (0.35) PLA2G2APLA2G4APDK2MMP12MMP13
SCHEMBL25052561 0.98 PDK2 (0.36) PLA2G2APLA2G4APDK2MMP12MMP13
SCHEMBL25052971 0.98 PDK2 (0.36) PLA2G2APLA2G4APDK2MMP12MMP13
SCHEMBL25052947 0.97 HSP90AA1 (0.34) PLA2G2APLA2G4APDK2MMP12MMP13
SCHEMBL25050961 0.97 PLA2G2A (0.34) PLA2G2APLA2G4APDK2MMP12MMP13
SCHEMBL25052975 0.96 KMT2A (0.35) PLA2G2APLA2G4APDK2HSP90AA1HSP90AB1
SCHEMBL25052939 0.95 PLA2G2A (0.39) PLA2G2APLA2G4APDK2MMP12MMP13
SCHEMBL25052934 0.95 PLA2G2A (0.39) PLA2G2APLA2G4APDK2MMP12MMP13
SCHEMBL25050966 0.95 MEN1 (0.38) PLA2G2APLA2G4AMMP12MMP13HSP90AA1

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-20230050369-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, COMPOUND AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-02-16 US disclosed