SCHEMBL9807831

SCHEMBL9807831

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.55
▸ CYP3A4 P08684 7/20 0.55
▸ AR P10275 4/20 0.55
▸ F2 P00734 1/20 0.55
▸ NR3C1 P04150 8/20 0.55
▸ HIF1A Q16665 4/20 0.55
▸ NR1I2 O75469 4/20 0.55
▸ ABCB11 O95342 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ ABCC4 O15439 1/20 0.55
▸ PDE4D Q08499 1/20 0.55
▸ USP2 O75604 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ CNR1 P21554 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ ADORA3 P0DMS8 2/20 0.47
▸ CHRM1 P11229 1/20 0.47

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
SCHEMBL9807835 1.00 PGR (0.55) PGRCYP3A4ARF2NR3C1
SCHEMBL9807832 0.93 PGR (0.54) PGRCYP3A4ARF2NR3C1
SCHEMBL9807826 0.93 PGR (0.54) PGRCYP3A4ARF2NR3C1
SCHEMBL9807822 0.91 CYP3A4 (0.59) PGRCYP3A4ARF2NR3C1
SCHEMBL9807829 0.91 CYP3A4 (0.59) PGRCYP3A4ARF2NR3C1
SCHEMBL10427908 0.91 PGR (0.58) PGRCYP3A4ARF2NR3C1
SCHEMBL10427850 0.91 PGR (0.58) PGRCYP3A4ARF2NR3C1
SCHEMBL10356203 0.90 PGR (0.66) PGRCYP3A4ARF2NR3C1
SCHEMBL10427859 0.90 PGR (0.66) PGRCYP3A4ARF2NR3C1
SCHEMBL10356202 0.90 PGR (0.66) PGRCYP3A4ARF2NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0149464-B1 6-ALPHA, 16-BETA-DIMETHYL STEROIDS SCHERING AKTIENGESELLSCHAFT (DE) 1991-04-17 — — EP claimed
EP-0149464-B1 6-ALPHA, 16-BETA-DIMETHYL STEROIDS SCHERING AKTIENGESELLSCHAFT (DE) 1991-04-17 — — EP disclosed
US-4777165-A 6α, 16β-dimethyl corticoids and their anti-inflammatory use SCHERING AKTIENGESELLSCHAFT (DE) 1988-10-11 — — US disclosed
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