SCHEMBL11719344

SCHEMBL11719344

CC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 8/20 0.71
▸ NR3C1 P04150 7/20 0.71
▸ PGR P06401 6/20 0.71
▸ AR P10275 4/20 0.71
▸ CYP3A4 P08684 3/20 0.71
▸ SMN1; SMN2 Q16637 2/20 0.71
▸ ALDH1A1 P00352 2/20 0.71
▸ CYP1A2 P05177 1/20 0.71
▸ HRH1 P35367 1/20 0.51
▸ ADORA3 P0DMS8 2/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ NR1I2 O75469 1/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ LMNA P02545 4/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CNR1 P21554 1/20 0.48
▸ TBXA2R P21731 1/20 0.48

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
SCHEMBL11719352 1.00 HIF1A (0.71) HIF1ANR3C1PGRARCYP3A4
SCHEMBL11400580 1.00 HIF1A (0.71) HIF1ANR3C1PGRARCYP3A4
Water SCHEMBL11718705 0.99 HIF1A (0.70) HIF1ANR3C1PGRARCYP3A4
Water SCHEMBL11718712 0.99 HIF1A (0.70) HIF1ANR3C1PGRARCYP3A4
SCHEMBL10891634 0.93 NR3C1 (0.63) HIF1ANR3C1PGRARCYP3A4
SCHEMBL10891645 0.93 NR3C1 (0.63) HIF1ANR3C1PGRARCYP3A4
SCHEMBL11754698 0.93 PGR (0.60) HIF1ANR3C1PGRARCYP3A4
SCHEMBL11754705 0.93 PGR (0.60) HIF1ANR3C1PGRARCYP3A4
SCHEMBL11753906 0.91 PGR (0.60) HIF1ANR3C1PGRARCYP3A4
SCHEMBL11753902 0.91 PGR (0.60) HIF1ANR3C1PGRARCYP3A4

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
US-4018918-A ANTIINFLAMMATORY, ANTIMICROBIAL AGENTS THE UPJOHN COMPANY (US) 1977-04-19 — — US disclosed
US-3980778-A Anti-inflammatory steroid THE UPJOHN COMPANY (US) 1976-09-14 — — US disclosed
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