SCHEMBL9746108

SCHEMBL9746108

Cc1cc(C)c2c(C)c(C)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
MAPT P10636 3/20 0.51
POLB P06746 2/20 0.51
GRIN2D O15399 3/20 0.43
GRIN3B O60391 3/20 0.43
GRIN1 Q05586 3/20 0.43
GRIN2A Q12879 3/20 0.43
GRIN2B Q13224 3/20 0.43
GRIN2C Q14957 3/20 0.43
GRIN3A Q8TCU5 3/20 0.43
HSD17B10 Q99714 1/20 0.42
GPR17 Q13304 1/20 0.39
AHR P35869 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.32
EGFR P00533 2/20 0.32
ABL1 P00519 1/20 0.32
ABL2 P42684 1/20 0.32
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL28961387 0.80 GRIN2D (0.48) KDM4EMAPTPOLBGRIN2DGRIN3B
SCHEMBL29588654 0.80 GRIN2D (0.48) KDM4EMAPTPOLBGRIN2DGRIN3B
SCHEMBL27676943 0.78 GRIN2D (0.49) KDM4EMAPTPOLBGRIN2DGRIN3B
Hydrochloric Acid SCHEMBL9445575 0.77 RPS6KA3 (0.36) KDM4EMAPTPOLBAHRSMN1; SMN2
SCHEMBL28271350 0.74 AHR (0.37) KDM4EMAPTPOLBGRIN2DGRIN3B
SCHEMBL29955981 0.74 MAPT (0.49) KDM4EMAPTPOLBGRIN2DGRIN3B
Phosphine SCHEMBL27478320 0.73 AHR (0.35) KDM4EMAPTPOLBGRIN2DGRIN3B
SCHEMBL8687440 0.72 GPR17 (0.50) KDM4EMAPTPOLBGRIN2DGRIN3B
SCHEMBL3604992 0.72 GPR17 (0.61) KDM4EMAPTPOLBGRIN2DGRIN3B
SCHEMBL10022730 0.72 GRIN2D (0.42) KDM4EMAPTPOLBGRIN2DGRIN3B

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
EP-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 EP claimed
CN-110878099-B Preparation method of pyrrole [1,2, alpha ] indole alkaloid derivative 五邑大学 2021-11-30 CN disclosed
CN-110878099-A Preparation method of pyrrole [1,2, α ] indole alkaloid derivative 五邑大学 2020-03-13 CN disclosed
EP-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 EP disclosed
US-4677193-A GONADOTROPIN-RELEASING FACTOR ANALOGS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1987-06-30 US disclosed
EP-0192492-A2 Peptides containing an aliphatic-aromatic ketone side chain THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1986-08-27 EP disclosed