SCHEMBL29180381

SCHEMBL29180381

CCCCCCCC/C=C\CCCCCCCC(=O)OC1CC(=O)C=C2CC[C@@H]3[C@H]([C@@H](O)C[C@@]4(C)[C@H]3CC[C@]4(O)C(=O)CO)[C@]21C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 10/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ MAPT P10636 2/20 0.59
▸ POLB P06746 1/20 0.59
▸ GAA P10253 1/20 0.59
▸ NR3C2 P08235 6/20 0.55
▸ NR3C1 P04150 5/20 0.54
▸ HSD17B10 Q99714 4/20 0.54
▸ PGR P06401 4/20 0.54
▸ CYP2C19 P33261 3/20 0.54
▸ SERPINA6 P08185 3/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ NFKB1 P19838 2/20 0.54
▸ SHBG P04278 1/20 0.54
▸ AR P10275 2/20 0.50
▸ ABCB11 O95342 1/20 0.50
▸ TNF P01375 1/20 0.50
▸ IL6 P05231 1/20 0.50
▸ GLUL P15104 1/20 0.50

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
SCHEMBL7142715 0.96 HIF1A (0.63) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL7137204 0.96 HIF1A (0.63) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL141852 0.96 HIF1A (0.63) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL2087489 0.96 HIF1A (0.63) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL3488313 0.96 HIF1A (0.63) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL5084683 0.95 HIF1A (0.62) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL141360 0.94 HIF1A (0.61) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL1535104 0.92 HIF1A (0.63) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL141828 0.90 HIF1A (0.62) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL4450350 0.89 HIF1A (0.61) HIF1ASMN1; SMN2MAPTPOLBGAA

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-110072533-B Methods of selectively expanding γδ T cell populations and compositions thereof 阿迪塞特治疗公司 2024-04-02 — — CN disclosed
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