SCHEMBL9200302

SCHEMBL9200302

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 10/20 0.66
▸ NR3C1 P04150 9/20 0.66
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ CYP2C19 P33261 2/20 0.66
▸ HSD17B10 Q99714 2/20 0.66
▸ PGR P06401 2/20 0.66
▸ SERPINA6 P08185 2/20 0.66
▸ CYP3A4 P08684 2/20 0.66
▸ NFKB1 P19838 2/20 0.66
▸ MAPT P10636 2/20 0.66
▸ SHBG P04278 1/20 0.66
▸ NR3C2 P08235 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ LMNA P02545 2/20 0.61
▸ AR P10275 1/20 0.61
▸ CHRM1 P11229 1/20 0.61
▸ PMP22 Q01453 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ POLB P06746 1/20 0.55
▸ GAA P10253 1/20 0.55

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
SCHEMBL9200297 1.00 HIF1A (0.66) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL9205611 0.99 HIF1A (0.65) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL9205622 0.99 HIF1A (0.65) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
SCHEMBL9200171 0.92 HIF1A (0.65) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
SCHEMBL9200163 0.92 HIF1A (0.65) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL9201448 0.91 HIF1A (0.64) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL9206099 0.91 HIF1A (0.64) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
SCHEMBL12397331 0.87 HIF1A (0.74) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
SCHEMBL12397343 0.86 HIF1A (0.72) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
SCHEMBL9198293 0.86 NR3C1 (0.66) HIF1ANR3C1CYP2C19HSD17B10PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0238545-B1 C20 THROUGH C26 AMINO STEROIDS UPJOHN CO (US) 1995-11-15 — — EP claimed
EP-0263213-B1 C20 Through C26 amino steroids UPJOHN CO (US) 1995-09-06 — — EP claimed
US-5380839-A Antitumor agents, antisecretory agents, enzyme inhibitors or antiasthmatics THE UPJOHN COMPANY (US) 1995-01-10 — — US claimed
EP-0263213-A1 C20 Through C26 amino steroids THE UPJOHN COMPANY (US) 1988-04-13 — — EP claimed
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