SCHEMBL28075439

SCHEMBL28075439

C=C(C(=O)O)c1cc(C)ccc1C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ CSNK2A1 P68400 1/20 0.47
▸ TSHR P16473 2/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ POLB P06746 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL27825872 0.81 ALDH1A1 (0.44) MEN1KMT2ATSHRSMN1; SMN2POLB
SCHEMBL27835075 0.81 KEAP1 (0.43) MEN1KMT2A
SCHEMBL28601069 0.81 ALDH1A1 (0.46) TSHRSMN1; SMN2POLBGAAHSD17B10
SCHEMBL1208684 0.79 ACHE (0.48) MEN1KMT2ACSNK2A1TSHRSMN1; SMN2
SCHEMBL192460 0.79 MEN1 (0.56) MEN1KMT2ACSNK2A1TSHRSMN1; SMN2
SCHEMBL223101 0.79 CSNK2A1 (0.65) MEN1KMT2ACSNK2A1TSHRSMN1; SMN2
SCHEMBL28286877 0.78 CSNK2A1 (0.42) MEN1KMT2ACSNK2A1SMN1; SMN2POLB
SCHEMBL27590353 0.77 SMN1; SMN2 (0.41) MEN1KMT2ACSNK2A1SMN1; SMN2POLB
SCHEMBL2092006 0.77 MEN1 (0.53) MEN1KMT2ACSNK2A1TSHRSMN1; SMN2
SCHEMBL6916692 0.77 CSNK2A1 (0.63) MEN1KMT2ACSNK2A1TSHRSMN1; SMN2

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
CN-105695101-A Zingiber purpureum Rosc. volatile oil extracted through supercritical carbon dioxide and preparation method and application of Zingiber purpureum Rosc. volatile oil 西双版纳版纳药业有限责任公司 2016-06-22 — — CN disclosed
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