SCHEMBL8159587

SCHEMBL8159587

CCCCP(CCCC)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 5/20 0.38
ALOX15 P16050 2/20 0.38
ALOX12 P18054 2/20 0.38
NPC1 O15118 2/20 0.38
USP2 O75604 1/20 0.38
HSP90AA1 P07900 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
KCNA5 P22460 2/20 0.36
KCNH2 Q12809 2/20 0.36

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
SCHEMBL21277327 0.98 KDM4E (0.41) KDM4EGAACYP2D6CYP1A2CYP19A1
SCHEMBL9335635 0.98 KDM4E (0.41) KDM4EGAACYP2D6CYP1A2CYP19A1
SCHEMBL21277337 0.96 KDM4E (0.40) KDM4EGAACYP2D6CYP1A2CYP19A1
SCHEMBL8639372 0.94 KDM4E (0.41) KDM4EGAACYP2D6CYP1A2CYP19A1
SCHEMBL8146536 0.85 KDM4E (0.42) KDM4EGAACYP2D6CYP1A2CYP19A1
SCHEMBL19230192 0.80 HTT (0.32) KDM4EGAACYP2D6CYP1A2CYP19A1
SCHEMBL8160677 0.79 KDM4E (0.48) KDM4EGAACYP1A2LMNANPC1
SCHEMBL9335973 0.79 CYP1A2 (0.41) KDM4EGAACYP2D6CYP1A2CYP19A1
SCHEMBL9443659 0.79 KDM4E (0.38) KDM4EGAACYP2D6CYP1A2CYP19A1
SCHEMBL18412107 0.78 KDM4E (0.37) KDM4EGAACYP2D6CYP1A2CYP19A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696474-B1 Catalytic systems and methods for carbonylation DAICEL CHEM (JP) 2000-05-17 EP disclosed
EP-0948999-A1 Catalytic systems and method for carbonylation DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-13 EP disclosed
US-5869738-A OF AN OLEFIN WITH CARBON MONOXIDE PRODUCING AN ACID DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-02-09 US disclosed
US-5731255-A GROUP VIII METAL SOURCE, LIGAND, ACID DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-24 US disclosed
EP-0696474-A2 Catalytic systems and methods for carbonylation DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-14 EP disclosed
EP-0441447-B1 Carbonylation catalyst process SHELL INT RESEARCH (NL) 1994-11-30 EP disclosed
EP-0441446-B1 Carbonylation catalyst system SHELL INT RESEARCH (NL) 1994-05-04 EP disclosed
EP-0441445-B1 Preparation of amides SHELL INT RESEARCH (NL) 1994-05-04 EP disclosed
EP-0386834-B1 CARBONYLATION CATALYST SYSTEM SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-02-03 EP disclosed
US-5179225-A Reaction of acetylenic or olefinic compound with carbon monoxide SHELL OIL COMPANY (US) 1993-01-12 US disclosed
US-5166116-A Coordination catalysts of phosphine, group 8 metal, protons and sulfonate SHELL OIL COMPANY (US) 1992-11-24 US disclosed
US-5128475-A PREPARATION OF AMIDES SHELL OIL COMPANY (US) 1992-07-07 US disclosed
US-5124300-A Group 8 metal, aromatic phosphine, proton source, tertiary amine SHELL OIL COMPANY (US) 1992-06-23 US disclosed
US-5103043-A CARBONYLATION CATALYST SYSTEM SHELL OIL COMPANY (US) 1992-04-07 US disclosed
EP-0441447-A1 Carbonylation catalyst process SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-08-14 EP disclosed
EP-0441446-A1 Carbonylation catalyst system SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-08-14 EP disclosed
EP-0441445-A2 Preparation of amides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-08-14 EP disclosed
US-5028576-A Carbonylation catalyst system SHELL OIL COMPANY (US) 1991-07-02 US disclosed
EP-0423866-A1 Phosphorous compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-04-24 EP disclosed
EP-0386834-A1 Carbonylation catalyst system SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-09-12 EP disclosed