SCHEMBL7603675

SCHEMBL7603675

COC(=C1C2CC3CC(C2)CC1C3)c1ccc2ccc(OP3(=O)OCCO3)cc2c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33
KDM4E B2RXH2 2/20 0.31
KDM2B Q8NHM5 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7606080 0.86 KMT2A (0.37) ESR1NPC1ALDH1A1RAB9A
SCHEMBL8749295 0.81 KDM4E (0.44) ESR1KDM4EKDM2BNPC1ALDH1A1
SCHEMBL7598473 0.79 KDM4E (0.46) ESR1KDM4EKDM2BNPC1ALDH1A1
SCHEMBL8749311 0.79 EPHX2 (0.39) ESR1KDM4EKDM2BNPC1ALDH1A1
SCHEMBL9043472 0.78 SLC6A3 (0.41) ESR1NPC1RAB9A
SCHEMBL8860947 0.78 SLC6A3 (0.41) ESR1NPC1RAB9A
SCHEMBL7603365 0.77 GPR84 (0.38) ESR1KDM4EKDM2BNPC1ALDH1A1
SCHEMBL8749366 0.77 ESR1 (0.35) ESR1KDM4EKDM2BNPC1ALDH1A1
SCHEMBL7602742 0.76 EPHX2 (0.41) ESR1KDM4EKDM2BNPC1ALDH1A1
SCHEMBL7603629 0.75 ESR1 (0.43) ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6417380-B1 POLYCYCLOALKYL KETONE CONTAINING FLUORESCENT CHROMOPHORE IS ALKYLATED TO POLYCYCLOALKYLIDENE ETHER IN PRESENCE OF ALKALI METAL ALKOXIDE IN POLAR APROTIC SOLVENT APPLIED BIOSYSTEMS, LLC 2002-07-09 US disclosed
US-6124478-A Methods of using 1,2-dioxetanes and kits therefore TROPIX, INC. (US) 2000-09-26 US disclosed
EP-0582317-B1 Synthesis of 1,2-dioxetanes and intermediates therefor TROPIX INC (US) 1999-08-25 EP disclosed
US-5648555-A Alkenes APPLIED BIOSYSTEMS, LLC 1997-07-15 US disclosed
US-5639907-A Synthesis of 1,2-dioxetanes and intermediates therefor TROPIX, INC. (US) 1997-06-17 US disclosed
US-5637747-A Synthesis of 1,2-dioxetanes and intermediates therefor TROPIX, INC. (US) 1997-06-10 US disclosed
EP-0368946-B1 1,2-DIOXETANES TROPIX INC (US) 1994-09-14 EP disclosed
EP-0582317-A2 Synthesis of 1,2-dioxetanes and intermediates therefor TROPIX, INC. (US) 1994-02-09 EP disclosed
US-5177241-A SYNTHESIS OF 1,2-DIOXETANES AND INTERMEDIATES THEREFOR APPLIED BIOSYSTEMS, LLC 1993-01-05 US disclosed
US-4956477-A Synthesis of 1,2-dioxetanes TROPIX, INC. (US) 1990-09-11 US disclosed
EP-0368946-A1 1,2-DIOXETANES. QUEST SYSTEMS INC (US) 1990-05-23 EP disclosed
EP-0368946-A4 1,2-DIOXETANES. QUEST SYSTEMS INC (US) 1990-05-14 EP disclosed
WO-1989006226-A1 SYNTHESIS OF 1,2-DIOXETANES AND INTERMEDIATES THEREFOR QUEST SYSTEMS, INC. (US) 1989-07-13 WO disclosed