SCHEMBL10427796

SCHEMBL10427796

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 9/20 0.59
▸ CYP3A4 P08684 8/20 0.59
▸ HSD17B10 Q99714 4/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ TSHR P16473 1/20 0.59
▸ NR3C1 P04150 7/20 0.55
▸ PGR P06401 6/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ LMNA P02545 3/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ ABCB11 O95342 3/20 0.51
▸ AR P10275 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ NR3C2 P08235 5/20 0.49
▸ SHBG P04278 2/20 0.49
▸ ABCC4 O15439 2/20 0.49
▸ ESR1 P03372 1/20 0.49
▸ CHRM2 P08172 1/20 0.49
▸ CHRM1 P11229 1/20 0.49

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
SCHEMBL10427881 1.00 HIF1A (0.59) HIF1ACYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL10892103 0.92 HIF1A (0.55) HIF1ACYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL10892119 0.92 HIF1A (0.55) HIF1ACYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL10623047 0.91 CYP3A4 (0.65) HIF1ACYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL10623059 0.91 CYP3A4 (0.65) HIF1ACYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL10427783 0.90 NR3C2 (0.55) HIF1ACYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL10427784 0.90 NR3C2 (0.55) HIF1ACYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL10427817 0.89 HIF1A (0.56) HIF1ACYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL10427768 0.89 HIF1A (0.56) HIF1ACYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL10355892 0.89 HIF1A (0.56) HIF1ACYP3A4HSD17B10ALDH1A1CYP2C9

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-0100874-B1 6,16-DIMETHYL CORTICOIDS, THEIR PREPARATION AND THEIR USE SCHERING AKTIENGESELLSCHAFT (DE) 1990-03-07 — — EP claimed
EP-0100874-A2 6,16-Dimethyl corticoids, their preparation and their use SCHERING AKTIENGESELLSCHAFT (DE) 1984-02-22 — — EP claimed
EP-0100874-B1 6,16-DIMETHYL CORTICOIDS, THEIR PREPARATION AND THEIR USE SCHERING AKTIENGESELLSCHAFT (DE) 1990-03-07 — — EP disclosed
US-4555507-A Novel 6, 16-dimethylcorticoids, their preparation and use SCHERING AKTIENGESELLSCHAFT (DE) 1985-11-26 — — US disclosed
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