SCHEMBL8636451

SCHEMBL8636451

CN(C)C(=O)CCCCCCBr

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA4 P43681 1/20 0.47
HTT P42858 1/20 0.39
KDM4A O75164 11/20 0.37
KDM4C Q9H3R0 11/20 0.37
KDM5A P29375 1/20 0.37
KDM7A Q6ZMT4 1/20 0.37
PHF8 Q9UPP1 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
LMNA P02545 1/20 0.36
TBXAS1 P24557 2/20 0.36
FAAH O00519 1/20 0.35

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
SCHEMBL5532786 1.00 ALDH1A1 (0.56) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL10629907 1.00 ALDH1A1 (0.56) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL7390301 1.00 ALDH1A1 (0.56) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL6878709 0.98 ALDH1A1 (0.58) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL7389052 0.90
SCHEMBL3189950 0.87 ALDH1A1 (0.70) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL131476 0.84 ALDH1A1 (0.74) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL9361792 0.84 ALOX5 (0.47) ALDH1A1KDM4AKDM4CKDM5AKDM7A
SCHEMBL9365362 0.84 ALOX5 (0.47) ALDH1A1KDM4AKDM4CKDM5AKDM7A
SCHEMBL11495501 0.82 ALDH1A1 (0.37) ALDH1A1KDM4AKDM4CKDM5AKDM7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594577-B1 NOVEL POTENT INDUCERS OF TERMINAL DIFFERENTIATION AND METHOD OF USE THEREOF SLOAN KETTERING INST CANCER (US) 1998-12-30 EP disclosed
US-5840960-A ANTITUMOR SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1998-11-24 US disclosed
US-5608108-A ANTITUMOR AGENTS; LUNG, BLADDER, KIDNEY, BREAST, COLORECTAL SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1997-03-04 US disclosed
EP-0594577-A1 NOVEL POTENT INDUCERS OF TERMINAL DIFFERENTIATION AND METHOD OF USE THEREOF Sloan-Kettering Institute For Cancer Research (US) 1994-05-04 EP disclosed
US-5175191-A Antitumor agents or anticancer agents SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-12-29 US disclosed
US-5055608-A Antitumor, anticarcinogenic agents SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1991-10-08 US disclosed
WO-1991008191-A1 NOVEL POTENT INDUCERS OF TERMINAL DIFFERENTIATION AND METHOD OF USE THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1991-06-13 WO disclosed
WO-1991000257-A1 NOVEL POTENT INDUCERS OF TERMINAL DIFFERENTIATION AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1991-01-10 WO disclosed
WO-1990009092-A2 NOVEL POTENT INDUCERS OF TERMINAL DIFFERENTIATION AND METHOD OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1990-08-23 WO disclosed