SCHEMBL11323629

SCHEMBL11323629

CC(=O)O[C@]1(C(=O)C(=O)O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 8/20 0.63
▸ CYP3A4 P08684 8/20 0.62
▸ HIF1A Q16665 6/20 0.62
▸ LMNA P02545 5/20 0.62
▸ CYP2C9 P11712 4/20 0.62
▸ PGR P06401 4/20 0.62
▸ HSD17B10 Q99714 3/20 0.62
▸ NFKB1 P19838 1/20 0.62
▸ CYP2J2 P51589 1/20 0.62
▸ BLM P54132 1/20 0.62
▸ PMP22 Q01453 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ CNR1 P21554 1/20 0.61
▸ TBXA2R P21731 1/20 0.61
▸ USP2 O75604 3/20 0.60
▸ NR1I2 O75469 2/20 0.60
▸ MAPT P10636 2/20 0.60
▸ MLNR O43193 1/20 0.60
▸ ABCB11 O95342 1/20 0.60

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
SCHEMBL11323632 1.00 NR3C1 (0.63) NR3C1CYP3A4HIF1ALMNACYP2C9
SCHEMBL11323634 1.00 NR3C1 (0.63) NR3C1CYP3A4HIF1ALMNACYP2C9
SCHEMBL11689579 0.93 NR3C1 (0.69) NR3C1CYP3A4HIF1ALMNACYP2C9
SCHEMBL11813525 0.93 NR3C1 (0.69) NR3C1CYP3A4HIF1ALMNACYP2C9
SCHEMBL11690649 0.93 NR3C1 (0.69) NR3C1CYP3A4HIF1ALMNACYP2C9
SCHEMBL8859709 0.87 NR3C1 (0.74) NR3C1CYP3A4HIF1ALMNACYP2C9
SCHEMBL11228768 0.86 NR3C1 (0.69) NR3C1CYP3A4HIF1ALMNACYP2C9
SCHEMBL9797354 0.85 HIF1A (0.78) NR3C1CYP3A4HIF1ALMNACYP2C9
SCHEMBL9797346 0.85 HIF1A (0.78) NR3C1CYP3A4HIF1ALMNACYP2C9
SCHEMBL11309009 0.85 HIF1A (0.78) NR3C1CYP3A4HIF1ALMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4257969-A ANTIINFLAMMATORY STEROIDS E. R. SQUIBB & SONS, INC. (US) 1981-03-24 — — US disclosed
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