SCHEMBL5564147

SCHEMBL5564147

O=C(O)C12CC3CC(C(=O)O)(C1)CC(c1ccccc1)(C3)C2

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.52
ALDH1A1 P00352 1/20 0.49
LMNA P02545 2/20 0.47
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
AKR1C1 Q04828 1/20 0.38

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
SCHEMBL19149257 0.89 LMNA (0.51) HSD11B1ALDH1A1LMNAGRIN2DGRIN3B
SCHEMBL20659918 0.88 ALDH1A1 (0.46) HSD11B1ALDH1A1LMNAGRIN2DGRIN3B
SCHEMBL20672519 0.88 ALDH1A1 (0.46) HSD11B1ALDH1A1LMNAGRIN2DGRIN3B
SCHEMBL29462032 0.88 ALDH1A1 (0.46) HSD11B1ALDH1A1LMNAGRIN2DGRIN3B
SCHEMBL20660265 0.88 ALDH1A1 (0.46) HSD11B1ALDH1A1LMNAGRIN2DGRIN3B
SCHEMBL24139484 0.88 HSD11B1 (0.46) HSD11B1ALDH1A1LMNAGRIN2DGRIN3B
SCHEMBL20659904 0.88 ALDH1A1 (0.46) HSD11B1ALDH1A1LMNAGRIN2DGRIN3B
SCHEMBL20672518 0.88 ALDH1A1 (0.46) HSD11B1ALDH1A1LMNAGRIN2DGRIN3B
SCHEMBL20660352 0.88 ALDH1A1 (0.46) HSD11B1ALDH1A1LMNAGRIN2DGRIN3B
SCHEMBL19149359 0.86 HSD11B1 (0.71) HSD11B1ALDH1A1LMNAKMT2AMEN1

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-3405183-A1 ADAMATANE DERIVATIVES FOR THE TREATMENT OF FILOVIRUS INFECTION Arisan Therapeutics Inc. (US) 2018-11-28 EP disclosed
WO-2017127306-A1 ADAMATANE DERIVATIVES FOR THE TREATMENT OF FILOVIRUS INFECTION ARISAN THERAPEUTICS (US) 2017-07-27 WO disclosed
US-20070078256-A1 Prepolymers, prepolymer compositions, high-molecular-weight polymers with pore structure, and dielectric films DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-04-05 US disclosed
EP-1683822-A1 PREPOLYMER, PREPOLYMER COMPOSITION, HIGH MOLECULAR WEIGHT POLYMER HAVING STRUCTURE CONTAINING HOLE AND ELECTRICALLY INSULATING FILM Daicel Chemical Industries, Ltd. (JP) 2006-07-26 EP disclosed