SCHEMBL504371

SCHEMBL504371

CCCCCCCCCC(C)Oc1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HTR1A P08908 1/20 0.42
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
PPARG P37231 2/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL27980915 1.00 ALDH1A1 (0.47) ALDH1A1HTR1AKMT2AKDM4EL3MBTL1
SCHEMBL9799537 1.00 ALDH1A1 (0.47) ALDH1A1HTR1AKMT2AKDM4EL3MBTL1
SCHEMBL9799532 1.00 ALDH1A1 (0.47) ALDH1A1HTR1AKMT2AKDM4EL3MBTL1
SCHEMBL27980864 0.98 ALDH1A1 (0.44) ALDH1A1HTR1AKMT2AKDM4EL3MBTL1
SCHEMBL5587003 0.89 ALDH1A1 (0.43) ALDH1A1HTR1AKMT2AKDM4EL3MBTL1
SCHEMBL5589741 0.89 ALDH1A1 (0.43) ALDH1A1HTR1AKMT2AKDM4EL3MBTL1
SCHEMBL5588062 0.89 ALDH1A1 (0.43) ALDH1A1HTR1AKMT2AKDM4EL3MBTL1
SCHEMBL5589242 0.89 ALDH1A1 (0.43) ALDH1A1HTR1AKMT2AKDM4EL3MBTL1
SCHEMBL5591147 0.89 ALDH1A1 (0.43) ALDH1A1HTR1AKMT2AKDM4EL3MBTL1
SCHEMBL5587138 0.89 ALDH1A1 (0.43) ALDH1A1HTR1AKMT2AKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102471244-B Process for producing N-substituted carbamate, process for producing isocyanate using the N-substituted carbamate, and composition for transporting and storing N-substituted carbamate containing N-substituted carbamate and aromatic hydroxy compound ASAHI CHEMICAL CORP 2014-09-24 CN disclosed
US-20120028853-A1 DRILLING FLUID, DRILLING FLUID ADDITIVE, METHODS OF MAKING AND USING, SUCH FLUID AND ADDITIVE, METHODS OF OPERATING A WELL MASIKEWICH JAMES D (CA) 2012-02-02 US disclosed
WO-2011011878-A1 DRILLING FLUID ADDITIVE COMPRISING AN OIL AND MULTIPLE GUAR COMPOUNDS MASIKEWICH JAMES D (CA) 2011-02-03 WO disclosed