SCHEMBL9748193

SCHEMBL9748193

CC12CC3CC(C1)CC(CC=O)(C3)C2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GRIN2D O15399 3/20 0.39
GRIN3B O60391 3/20 0.39
GRIN1 Q05586 3/20 0.39
GRIN2A Q12879 3/20 0.39
GRIN2B Q13224 3/20 0.39
GRIN2C Q14957 3/20 0.39
GRIN3A Q8TCU5 3/20 0.39
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.37
ALDH1A1 P00352 3/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33
EPHX2 P34913 2/20 0.32
PTGS2 P35354 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
SCHEMBL11697772 0.77 GRIN2D (0.50) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL159995 0.77 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10532442 0.76 GAA (0.51) MEN1KMT2ATSHRGAAALDH1A1
SCHEMBL1938937 0.75 GRIN2D (0.61) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL19658216 0.75 GAA (0.51) MEN1KMT2ATSHRGAAALDH1A1
SCHEMBL14696512 0.74 MEN1 (0.64) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL16449047 0.74 MEN1 (0.44) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL1771507 0.74 ALDH1A1 (0.45) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL338881 0.73 TSHR (0.41) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL6829150 0.73 ALDH1A1 (0.56) MEN1KMT2AGAAALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5100890-A Antidepressants, Fungicides HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-31 US disclosed
EP-0218118-B1 ARYLMETHYL AZOLES AND THEIR SALTS, METHOD FOR THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-18 EP disclosed
US-5023357-A Arylmethylazole preparation processes HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-11 US disclosed
US-4876354-A FUNGICIDES, ANTIDEPRESSANTS HOECHST AKTIENGESELLSCHAFT (DE) 1989-10-24 US disclosed
EP-0218118-A1 Arylmethyl azoles and their salts, method for their preparation, compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-15 EP disclosed