SCHEMBL21281397

SCHEMBL21281397

Cc1nc2cccc(O[C@@H]3CCCCC3C(C)C)c2c(N)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MCHR1 Q99705 2/20 0.36
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ GABRA4 P48169 1/20 0.34
▸ GABRE P78334 1/20 0.34
▸ GABRA6 Q16445 1/20 0.34
▸ GABRG1 Q8N1C3 1/20 0.34
▸ GABRG3 Q99928 1/20 0.34

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
SCHEMBL31670269 0.87 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1HPGD
SCHEMBL19901701 0.87 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1HPGD
SCHEMBL626788 0.87 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1HPGD
SCHEMBL621866 0.87 KMT2A (0.39) HSD17B10TP53MCHR1KMT2AMEN1
SCHEMBL618522 0.85 HSD17B10 (0.37) HSD17B10TP53MCHR1KMT2AMEN1
SCHEMBL620752 0.84 HSD17B10 (0.41) HSD17B10TP53MCHR1KMT2AMEN1
SCHEMBL621469 0.84 HCRTR1 (0.35) HSD17B10TP53KMT2AMEN1GABRP
SCHEMBL620347 0.83 MCHR1 (0.43) HSD17B10TP53MCHR1KMT2AMEN1
SCHEMBL30358378 0.83 MCHR1 (0.43) HSD17B10TP53MCHR1KMT2AMEN1
SCHEMBL621608 0.83 MCHR1 (0.43) HSD17B10TP53MCHR1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552207-B1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED (US) 2019-08-21 — — EP disclosed
Send feedback