SCHEMBL9713089

SCHEMBL9713089

CCC(CCCC1CCCCC1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
BCHE P06276 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.41
PPARG P37231 2/20 0.39
ATM Q13315 2/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CCR5 P51681 1/20 0.38
SLC18A3 Q16572 1/20 0.37

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
SCHEMBL11357967 0.79 CYP1A2 (0.58) SIGMAR1CYP1A2
SCHEMBL28127026 0.77 CSNK1E (0.49) SIGMAR1MAOA
SCHEMBL3466390 0.76 ALDH1A1 (0.49) SIGMAR1MAOA
SCHEMBL27969072 0.75 SIGMAR1 (0.45) SIGMAR1BCHEMEN1KMT2AATM
Water SCHEMBL28872920 0.74 ALDH1A1 (0.47) SIGMAR1
SCHEMBL5610892 0.73 SIGMAR1 (0.53) SIGMAR1MEN1KMT2A
SCHEMBL9132870 0.73 CYP1A2 (0.38) MEN1KMT2ACYP1A2MAOB
SCHEMBL28420968 0.73 CSNK1E (0.57) SIGMAR1MEN1KMT2A
SCHEMBL4761961 0.73 ALDH1A1 (0.50) SIGMAR1CYP1A2
SCHEMBL11625318 0.73 CSNK1E (0.57) SIGMAR1MEN1KMT2A

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-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
US-4943634-A HERBICIDES ELI LILLY AND COMPANY (US) 1990-07-24 US disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4515625-A HERBICIDES ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed