SCHEMBL8749366

SCHEMBL8749366

COC(=C1C2CC3CC(C2)CC1C3)c1ccc2ccc(OP(=O)([Na])[Na])cc2c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
HPGDS O60760 1/20 0.33
CNR2 P34972 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
KDM4E B2RXH2 2/20 0.33
KDM2B Q8NHM5 1/20 0.32
PLAU P00749 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A4 P31645 4/20 0.31
SLC6A3 Q01959 4/20 0.31
FOXM1 Q08050 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
SCHEMBL7603365 0.89 GPR84 (0.38) ESR1NPC1RAB9AHPGDSCNR2
SCHEMBL8749295 0.84 KDM4E (0.44) ESR1NPC1RAB9AHPGDSCNR2
SCHEMBL7598473 0.81 KDM4E (0.46) ESR1NPC1RAB9AHPGDSCNR2
SCHEMBL8749311 0.81 EPHX2 (0.39) ESR1NPC1RAB9AKDM4EKDM2B
SCHEMBL8860947 0.80 SLC6A3 (0.41) ESR1NPC1RAB9ACASP3SENP7
SCHEMBL9043472 0.80 SLC6A3 (0.41) ESR1NPC1RAB9ACASP3SENP7
SCHEMBL7602742 0.79 EPHX2 (0.41) ESR1NPC1RAB9AKDM4EKDM2B
SCHEMBL7603629 0.78 ESR1 (0.43) ESR1CASP3SENP7
SCHEMBL7603675 0.77 ESR1 (0.33) ESR1NPC1RAB9AKDM4EKDM2B
SCHEMBL7598808 0.76 ESR1 (0.43) ESR1NPC1RAB9ASLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416038-B1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED TROPIX INC (US) 1997-03-26 EP disclosed
US-4952707-A DECOMPOSITION TO LIGHT EMITTING FLUOROPHORE; ANALYSIS TROPIX, INC. (US) 1990-08-28 US disclosed