SCHEMBL4557526

SCHEMBL4557526

C[C@]12C(O)=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC(O)[C@]2(O)C(=O)CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINA6 P08185 3/20 0.52
HSD17B10 Q99714 11/20 0.49
HIF1A Q16665 9/20 0.49
CYP3A4 P08684 7/20 0.49
NR3C1 P04150 5/20 0.49
LMNA P02545 4/20 0.49
PGR P06401 4/20 0.49
CYP2C19 P33261 3/20 0.49
PMP22 Q01453 3/20 0.49
NFKB1 P19838 3/20 0.49
CYP2C9 P11712 2/20 0.49
BLM P54132 2/20 0.49
CYP2J2 P51589 1/20 0.49
TSHR P16473 2/20 0.46
SHBG P04278 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AR P10275 2/20 0.44
ABCB11 O95342 1/20 0.44
TNF P01375 1/20 0.44
IL6 P05231 1/20 0.44

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
SCHEMBL3720190 1.00 SERPINA6 (0.52) SERPINA6HSD17B10HIF1ACYP3A4NR3C1
SCHEMBL4557524 1.00 SERPINA6 (0.52) SERPINA6HSD17B10HIF1ACYP3A4NR3C1
SCHEMBL30600014 1.00 SERPINA6 (0.52) SERPINA6HSD17B10HIF1ACYP3A4NR3C1
SCHEMBL3640143 0.90 NR3C1 (0.55) SERPINA6HSD17B10HIF1ACYP3A4NR3C1
SCHEMBL2875968 0.90 NR3C1 (0.55) SERPINA6HSD17B10HIF1ACYP3A4NR3C1
SCHEMBL4556901 0.89 HSD17B10 (0.45) SERPINA6HSD17B10HIF1ACYP3A4NR3C1
SCHEMBL7945795 0.87 HSD17B10 (0.43) SERPINA6HSD17B10HIF1ACYP3A4NR3C1
SCHEMBL20500938 0.85 SERPINA6 (0.50) SERPINA6HSD17B10HIF1ACYP3A4NR3C1
SCHEMBL5459012 0.84 HSD17B10 (0.64) SERPINA6HSD17B10HIF1ACYP3A4NR3C1
SCHEMBL3726244 0.84 HSD17B10 (0.64) SERPINA6HSD17B10HIF1ACYP3A4NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3787630-A1 FERROCHELATASE INHIBITORS AND METHODS OF USE Indiana University Research and Technology Corporation (US) 2021-03-10 EP disclosed
WO-2020219264-A1 FERROCHELATASE INHIBITORS AND METHODS OF USE INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2020-10-29 WO disclosed
EP-1781267-A4 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX INC (US) 2009-03-11 EP disclosed
EP-1553955-A4 METHODS AND REAGENTS FOR THE TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH INCREASED LEVELS OF PROINFLAMMATORY CYTOKINES COMBINATORX INC (US) 2008-11-05 EP disclosed
EP-1781267-A2 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS Combinatorx, Incorporated (US) 2007-05-09 EP disclosed
WO-2005115455-A2 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2005-12-08 WO disclosed
EP-1553955-A2 METHODS AND REAGENTS FOR THE TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH INCREASED LEVELS OF PROINFLAMMATORY CYTOKINES Combinatorx, Incorporated (US) 2005-07-20 EP disclosed
WO-2004030618-A2 METHODS AND REAGENTS FOR THE TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH INCREASED LEVELS OF PROINFLAMMATORY CYTOKINES COMBINATORX, INCORPORATED (US) 2004-04-15 WO disclosed