SCHEMBL5963519

SCHEMBL5963519

O=C(OCc1ccccc1)N1C(=O)[C@H](O)[C@@H]1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45
NCSTN Q92542 2/20 0.45
APH1A Q96BI3 2/20 0.45
PSENEN Q9NZ42 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HTR2C P28335 1/20 0.44
CTRB1 P17538 1/20 0.44
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
P2RX4 Q99571 1/20 0.43
PDE1C Q14123 1/20 0.43
CYP2C19 P33261 1/20 0.43
ELANE P08246 1/20 0.43

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
SCHEMBL5964257 0.85 KDM4E (0.48) ELANE
SCHEMBL5963244 0.80 BCHE (0.44) SMN1; SMN2CYP2C19ELANE
SCHEMBL5963538 0.79 ELANE (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5963886 0.78 ELANE (0.43) SMN1; SMN2NPC1RAB9AELANE
SCHEMBL6860240 0.76 ELANE (0.47) SMN1; SMN2NPC1RAB9AHTR2CPDE1C
SCHEMBL6860243 0.76 ELANE (0.47) SMN1; SMN2NPC1RAB9AHTR2CPDE1C
SCHEMBL30904956 0.76 ELANE (0.43) HTR2CP2RX4PDE1CELANE
SCHEMBL16237822 0.75 ELANE (0.44) ELANE
SCHEMBL29695931 0.75 MEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7732143 0.75 ELANE (0.43) HTR2CPDE1CELANE

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-0681568-B1 PROCESS FOR PREPARATION OF TAXANE DERIVATIVES AND BETA-LACTAM INTERMEDIATES THEREFOR UNIV NEW YORK STATE RES FOUND (US) 2006-07-26 EP disclosed
US-6218553-B1 METALLIZATION BY REACTING A BACCATIN III DERIVATIVE WITH A METAL ALKYLDISILAZIDE THE STATE UNIVERSITY OF NEW YORK AT STONY BROOK 2001-04-17 US disclosed