SCHEMBL9437393

SCHEMBL9437393

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 10/20 0.75
▸ LMNA P02545 2/20 0.75
▸ NR3C1 P04150 7/20 0.72
▸ SMN1; SMN2 Q16637 3/20 0.72
▸ CYP2C19 P33261 2/20 0.72
▸ HSD17B10 Q99714 2/20 0.72
▸ PGR P06401 2/20 0.72
▸ SERPINA6 P08185 2/20 0.72
▸ CYP3A4 P08684 2/20 0.72
▸ NFKB1 P19838 2/20 0.72
▸ MAPT P10636 2/20 0.72
▸ NR3C2 P08235 2/20 0.72
▸ SHBG P04278 1/20 0.72
▸ KMT2A Q03164 1/20 0.72
▸ AR P10275 1/20 0.66
▸ CHRM1 P11229 1/20 0.66
▸ PMP22 Q01453 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ POLB P06746 1/20 0.59
▸ GAA P10253 1/20 0.59

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
SCHEMBL11814284 0.92 HIF1A (0.81) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL10991253 0.91 HIF1A (0.70) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL16020569 0.90 HIF1A (0.78) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL7614974 0.90 HIF1A (0.77) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL8071547 0.90 HIF1A (0.77) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL2484782 0.88 HIF1A (0.84) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL13147966 0.88 HIF1A (0.84) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL1626384 0.88 HIF1A (0.84) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL1626382 0.88 HIF1A (0.84) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL13043685 0.88 HIF1A (0.84) HIF1ALMNANR3C1SMN1; SMN2CYP2C19

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
CN-113504328-A High-flux detection method for glucocorticoid and sex hormone in cosmetics 苏州市药品检验检测研究中心 2021-10-15 — — CN disclosed
US-5352808-A Process for steroid preparation ROUSSEL UCLAF (FR) 1994-10-04 — — US disclosed
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