SCHEMBL9416347

SCHEMBL9416347

O=NC(N=O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.39
SHBG P04278 1/20 0.36
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL4243171 0.77 EPHX1 (0.39) EPHX1SHBGTP53KDM4EGMNN
SCHEMBL2844353 0.71 EPHX1 (0.43) EPHX1SHBGTP53KDM4EGMNN
SCHEMBL105924 0.70 ALDH1A1 (0.42) EPHX1SHBGTP53ALDH1A1
Cyclohexane SCHEMBL4981074 0.70 ALDH1A1 (0.42) EPHX1SHBGTP53ALDH1A1
SCHEMBL2837505 0.67 EPHX1 (0.39) EPHX1SHBGTP53KDM4EGMNN
SCHEMBL131131 0.67 ALDH1A1 (0.39) EPHX1ALDH1A1
SCHEMBL3231723 0.63 EPHX1 (0.45) EPHX1SHBGTP53KDM4EGMNN
SCHEMBL3227070 0.63 EPHX1 (0.45) EPHX1SHBGTP53KDM4EGMNN
SCHEMBL3642818 0.63 EPHX1 (0.45) EPHX1SHBGTP53KDM4EGMNN
SCHEMBL3224885 0.63 EPHX1 (0.45) EPHX1SHBGTP53KDM4EGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0157828-B1 PROCESS FOR THE PREPARATION OF URETHANES CATALYTICA ASSOCIATES (US) 1994-01-12 EP disclosed
EP-0220205-A4 PROCESS FOR THE PREPARATION OF URETHANES. CATALYTICA ASSOCIATES (US) 1988-04-27 EP disclosed
EP-0215848-A4 CARBONYLATION PROCESS. CATALYTICA ASSOCIATES (US) 1988-04-26 EP disclosed
US-4709073-A Process for the preparation of urethanes CATALYTICA ASSOCIATES (US) 1987-11-24 US disclosed
US-4705883-A Carbonylation process CATALYTICA ASSOCIATES (US) 1987-11-10 US disclosed
US-4687872-A Process for the preparation of urethanes CATALYTICA ASSOCIATES (US) 1987-08-18 US disclosed
EP-0220205-A1 PROCESS FOR THE PREPARATION OF URETHANES CATALYTICA ASSOCIATES (US) 1987-05-06 EP disclosed
EP-0215848-A1 CARBONYLATION PROCESS CATALYTICA ASSOCIATES (US) 1987-04-01 EP disclosed
EP-0157828-A4 PROCESS FOR THE PREPARATION OF URETHANES. CATALYTICA ASSOCIATES (US) 1987-01-22 EP disclosed
US-4629804-A Process for preparation of urethanes CATALYTICA ASSOCIATES (US) 1986-12-16 US disclosed
WO-1986005178-A1 PROCESS FOR THE PREPARATION OF URETHANES CATALYTICA ASSOCIATES (US) 1986-09-12 WO disclosed
WO-1986005179-A1 CARBONYLATION PROCESS CATALYTICA ASSOCIATES (US) 1986-09-12 WO disclosed
US-4603216-A RUTHENIUM-PHOSPHINE CATALYST CATALYTICA ASSOCIATES (US) 1986-07-29 US disclosed
US-4600793-A Process for the preparation of urethanes CATALYTICA ASSOCIATES (US) 1986-07-15 US disclosed
EP-0157828-A1 PROCESS FOR THE PREPARATION OF URETHANES. CATALYTICA ASSOCIATES (US) 1985-10-16 EP disclosed
WO-1985001285-A1 PROCESS FOR THE PREPARATION OF URETHANES CATALYTICA ASSOCIATES (US) 1985-03-28 WO disclosed
US-3993685-A Process for the production of urethanes ATLANTIC RICHFIELD COMPANY (US) 1976-11-23 US disclosed
US-3956360-A REACTING HYDROXY COMPOUND WITH CARBON MONOXIDE AND AN ORGANIC COMPOUND ATLANTIC RICHFIELD COMPANY (US) 1976-05-11 US disclosed