SCHEMBL9737345

SCHEMBL9737345

C=CCOC(=O)c1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.50
HSP90AB1 P08238 5/20 0.50
NR1H4 Q96RI1 2/20 0.46
RARB P10826 2/20 0.46
RARG P13631 2/20 0.46
RARA P10276 1/20 0.46
ESRRA P11474 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
SNCA P37840 1/20 0.45
CYP3A4 P08684 1/20 0.44
APP P05067 1/20 0.42
HSD17B2 P37059 1/20 0.41
NR1I2 O75469 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL7594781 0.84 LMNA (0.46) CA1CA2SNCACYP3A4ALDH1A1
SCHEMBL5364276 0.82 CA12 (0.68) HSP90AA1HSP90AB1NR1H4RARBRARG
SCHEMBL2972468 0.82 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL9737503 0.81 CA1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL7940256 0.79 HSP90AA1 (0.52) HSP90AA1HSP90AB1NR1H4RARBRARG
SCHEMBL8839323 0.79 KMT2A (0.49) SNCACYP3A4ALDH1A1LMNAHSD17B10
SCHEMBL680754 0.78 HSD17B2 (0.68) HSP90AA1HSP90AB1CA12CA1CA2
SCHEMBL9125713 0.78 SNCA (0.48) CA12CA1CA2CA7CA9
SCHEMBL11274983 0.78 ALDH1A1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL9419972 0.77 SNCA (0.54) CA1CA2SNCACYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5173289-A Skin disorders, antiinflammatory agents CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1992-12-22 US disclosed
US-4925658-A TREATMENT OF DERMATOLOGIC, RHEUMATIC, RESPIRATORY, OPHTHALMOLOGIC DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (CIRD) (FR) 1990-05-15 US disclosed