SCHEMBL7743664

SCHEMBL7743664

CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)COC(C)=O)O1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 7/20 0.72
▸ LMNA P02545 6/20 0.72
▸ CYP3A4 P08684 4/20 0.72
▸ NR3C1 P04150 4/20 0.72
▸ PGR P06401 3/20 0.72
▸ CNR1 P21554 2/20 0.72
▸ KCNH2 Q12809 1/20 0.72
▸ NPSR1 Q6W5P4 1/20 0.72
▸ USP2 O75604 1/20 0.72
▸ MAPT P10636 1/20 0.72
▸ CYP2C9 P11712 1/20 0.64
▸ TBXA2R P21731 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ PKM P14618 1/20 0.64
▸ PPARG P37231 1/20 0.64
▸ HTT P42858 1/20 0.64
▸ NCOA2 Q15596 1/20 0.64
▸ NCOA1 Q15788 1/20 0.64
▸ NCOA3 Q9Y6Q9 1/20 0.64

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
SCHEMBL26228053 0.91 LMNA (0.65) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL21153503 0.91 NR3C1 (0.59) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL23760072 0.90 HIF1A (0.60) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL8502621 0.90 NR3C1 (0.60) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL10337827 0.90 CYP3A4 (0.73) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL7741442 0.90 CYP3A4 (0.73) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL7134775 0.90 CYP3A4 (0.73) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL30885748 0.90 LMNA (0.60) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL20149515 0.90 NR3C1 (0.63) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL7741861 0.89 LMNA (0.64) HIF1ALMNACYP3A4NR3C1PGR

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-0502092-B1 ORAL COMPOSITION FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASES DRACO AB (SE) 1995-07-26 — — EP claimed
US-6423340-B1 GASTROINTESTINAL DISORDERS, CROHN'S COLITIS AKTIEBOLAGET DRACO (SE) 2002-07-23 — — US disclosed
US-5643602-A TIME RELEASE PELLETS FOR INTESTINES ASTRA AKTIEBOLAG (SE) 1997-07-01 — — US disclosed
EP-0502092-B1 ORAL COMPOSITION FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASES DRACO AB (SE) 1995-07-26 — — EP disclosed
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