SCHEMBL28074680

SCHEMBL28074680

C[C@]12C(P)=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 11/20 0.70
HSD17B10 Q99714 10/20 0.70
NR3C1 P04150 6/20 0.70
PGR P06401 6/20 0.70
CYP3A4 P08684 5/20 0.70
CYP2C19 P33261 4/20 0.70
SERPINA6 P08185 4/20 0.70
NR3C2 P08235 2/20 0.70
ABCB11 O95342 2/20 0.70
AR P10275 2/20 0.70
TNF P01375 1/20 0.70
IL6 P05231 1/20 0.70
GLUL P15104 1/20 0.70
ADAM17 P78536 1/20 0.70
GPBAR1 Q8TDU6 1/20 0.70
KMT2A Q03164 3/20 0.66
SHBG P04278 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
MAPT P10636 1/20 0.66
NFKB1 P19838 1/20 0.66

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
SCHEMBL1512721 0.90 HIF1A (0.72) HIF1AHSD17B10NR3C1PGRCYP3A4
SCHEMBL2299293 0.90 HIF1A (0.72) HIF1AHSD17B10NR3C1PGRCYP3A4
SCHEMBL13270299 0.90 HIF1A (0.72) HIF1AHSD17B10NR3C1PGRCYP3A4
SCHEMBL3410685 0.90 HIF1A (0.72) HIF1AHSD17B10NR3C1PGRCYP3A4
SCHEMBL1182565 0.90 HIF1A (0.72) HIF1AHSD17B10NR3C1PGRCYP3A4
SCHEMBL11484589 0.89 HIF1A (0.70) HIF1AHSD17B10NR3C1PGRCYP3A4
SCHEMBL719929 0.89 HIF1A (0.70) HIF1AHSD17B10NR3C1PGRCYP3A4
SCHEMBL28344376 0.89 HIF1A (0.70) HIF1AHSD17B10NR3C1PGRCYP3A4
SCHEMBL11406889 0.89 HIF1A (0.70) HIF1AHSD17B10NR3C1PGRCYP3A4
SCHEMBL4622168 0.89 HIF1A (0.70) HIF1AHSD17B10NR3C1PGRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107427584-A Joint fat pad preparation and its application method 阿勒根公司 2017-12-01 CN claimed
CN-107746405-A Syk inhibitor 吉利德科学公司 2018-03-02 CN disclosed
CN-105832670-A Technology for preparing double-loaded or multi-loaded liposome through liposome fusion induction 四川大学 2016-08-10 CN disclosed