SCHEMBL7841006

SCHEMBL7841006

CC(C)(C)OC(=O)c1ncc(CCC(=O)O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.40
▸ GABRA1 P14867 8/20 0.39
▸ GABRG2 P18507 8/20 0.39
▸ GABRB3 P28472 8/20 0.39
▸ GABRA3 P34903 8/20 0.39
▸ GABRA2 P47869 8/20 0.39
▸ GABRA5 P31644 7/20 0.39
▸ GABRA6 Q16445 6/20 0.39
▸ GABRA4 P48169 5/20 0.39
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ GABRE P78334 1/20 0.39
▸ GABRG1 Q8N1C3 1/20 0.39
▸ GABRG3 Q99928 1/20 0.39
▸ GABRQ Q9UN88 1/20 0.39
▸ PDE9A O76083 1/20 0.36
▸ RXRA P19793 3/20 0.36
▸ NR1H2 P55055 3/20 0.36

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
SCHEMBL29220817 0.78 SLC7A5 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL23421123 0.78 SLC7A5 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL27732246 0.73 SLC7A5 (0.35) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL5331947 0.71 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL889024 0.71 HRH4 (0.55) NR1H4CYP1A2CYP2C9HSD17B10NPSR1
SCHEMBL31037762 0.70 P4HTM (0.63) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL18782928 0.69 CYP1A2 (0.43) NR1H4PDE9ACYP1A2CYP2C9HSD17B10
SCHEMBL5201259 0.68 PDE9A (0.40) NR1H4PDE9ACYP1A2CYP2C9HSD17B10
SCHEMBL16931563 0.68 NR1H2 (0.39) RXRANR1H2NR1H3
SCHEMBL1078758 0.68 IGF1R (0.41) CYP1A2CYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140942-A2 PRENYL TRANSFERASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-10-10 — — EP disclosed
WO-2000039130-A2 PRENYL TRANSFERASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2000-07-06 — — WO disclosed
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