SCHEMBL8936212

SCHEMBL8936212

CC(C)C1(C)CCCC(C(N)=O)C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
CYP2D6 P10635 1/20 0.35
DPP4 P27487 3/20 0.34
PITRM1 Q5JRX3 3/20 0.34
DPP8 Q6V1X1 3/20 0.34
DPP9 Q86TI2 3/20 0.34
DPP7 Q9UHL4 3/20 0.34
FAP Q12884 2/20 0.34
EPHX1 P07099 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
MME P08473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CCR2 P41597 3/20 0.30

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
SCHEMBL27561118 0.84 APLNR (0.42) KDM4EMAPTSLC1A2SLC1A1SMN1; SMN2
SCHEMBL3694371 0.79 CYP2C9 (0.40) KDM4EMAPTEPHX1SMN1; SMN2CCR2
SCHEMBL25001002 0.77 SMN1; SMN2 (0.38) KMT2AKDM4EMAPTATMCYP2D6
SCHEMBL15541347 0.77 APLNR (0.41) KMT2AKDM4EMAPTATMCYP2D6
SCHEMBL15541036 0.77 APLNR (0.41) KMT2AKDM4EMAPTATMCYP2D6
SCHEMBL28598649 0.77 APLNR (0.41) KMT2AKDM4EMAPTATMCYP2D6
Hydrochloric Acid SCHEMBL16738264 0.76 APLNR (0.40) KMT2AKDM4EMAPTATMCYP2D6
SCHEMBL29790515 0.74 KDM4E (0.37) KMT2AKDM4EMAPTATMCYP2D6
SCHEMBL15542498 0.73 KDM4E (0.39) KMT2AKDM4EMAPTATMCYP2D6
SCHEMBL10423033 0.72 LTB4R (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510530-A WHEN POLYMERIZED GIVE OPTICALLY ACTIVE POLYMERS WHICH ARE USEFUL AS ADSORBENTS FOR CHROMATOGRAPHIC SEPARATION OF RACEMATES INTO ENANTIOMERS BAYER AKTIENGESELLSCHAFT (DE) 1996-04-23 US disclosed
US-5481026-A ADDITION POLYMERIZABLE TO CHROMATOGRAPHIC SUPPORTS FOR SEPARATION OF RACEMIC MIXTURES BAYER AKTIENGESELLSCHAFT (DE) 1996-01-02 US disclosed
US-5432252-A Acrylamide derivatives; use as polymeric adsorbent in separation of racemic mixtures into their optical antipodes BAYER AKTIENGESELLSCHAFT (DE) 1995-07-11 US disclosed
US-5432251-A Acrylamide derivatives; use as polymeric adsorbent in separation of racemic mixtures into their optical antipodes BAYER AKTIENGESELLSCHAFT (DE) 1995-07-11 US disclosed
US-5357001-A Optically active amino acid sulphoxide and amino acid sulphone derivatives, their preparation, their polymerisation and use as adsorbents for chromatographic resolution of racemates BAYER AKTIENGESELLSCHAFT (DE) 1994-10-18 US disclosed
US-5347042-A Optically active sulphur-containing amino acid derivatives, their preparation, their polymerisation to give optically active polymers and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 1994-09-13 US disclosed