SCHEMBL8971498

SCHEMBL8971498

CC(C)(C)C1=CC(=Nc2cc(C(=O)O)ccc2O)C=C(C(C)(C)C)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
RARG P13631 3/20 0.40
RARB P10826 2/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CA12 O43570 1/20 0.40
GAA P10253 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
PTGS2 P35354 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NEU3 Q9UQ49 2/20 0.39
HTT P42858 1/20 0.38
RARA P10276 2/20 0.36

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
SCHEMBL8971916 0.86 SMN1; SMN2 (0.48) SMN1; SMN2POLBMAPTKDM4EGAA
SCHEMBL10358736 0.85 SMN1; SMN2 (0.60) SMN1; SMN2RARGRARBMAPTKDM4E
SCHEMBL8971383 0.81 NEU3 (0.53) SMN1; SMN2MAPTKDM4ENEU3MEN1
SCHEMBL8971776 0.79 SMN1; SMN2 (0.47) SMN1; SMN2RARGRARBPOLBCA1
SCHEMBL8971653 0.77 SMN1; SMN2 (0.46) SMN1; SMN2POLBMAPTKDM4EL3MBTL1
SCHEMBL3278783 0.70 CA12 (0.59) SMN1; SMN2POLBMAPTCA1CA2
SCHEMBL16675402 0.67 SMN1; SMN2 (0.57) SMN1; SMN2POLBMAPTPKMKMT2A
SCHEMBL8971379 0.67 CDC25B (0.40) SMN1; SMN2RARGRARBMAPTKDM4E
SCHEMBL1814868 0.66 SMN1; SMN2 (0.61) SMN1; SMN2POLBMAPTGAAL3MBTL1
SCHEMBL8971390 0.66 SMN1; SMN2 (0.49) SMN1; SMN2POLBMAPTCA2CA12

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
US-5527824-A ADMINISTERING IN THE TREATMENT OF ASTHMA, PSORIASIS AND ALLERGIC CONDITIONS RIKER LABORATORIES, INC. (US) 1996-06-18 US disclosed
US-5498745-A ANTIALLERGEN INTERMEDIATES, INHIBITORS OF LEUKOTRIENES, LIPOXYGENASE INHIBITORS RIKER LABORATORIES, INC. (US) 1996-03-12 US disclosed
US-5495043-A ANTIALLERGENS RIKER LABORATORIES, INC. (US) 1996-02-27 US disclosed
US-5416113-A Bronchodilators RIKER LABORATORIES, INC. (US) 1995-05-16 US disclosed
US-5347036-A Antiallergens RIKER LABORATORIES, INC. (US) 1994-09-13 US disclosed
US-5237070-A Antiallergens, inhibiting bronchoconstriction RIKER LABORATORIES, INC. (US) 1993-08-17 US disclosed
EP-0212848-B1 SUBSTITUTED-DI-T-BUTYLPHENOLS RIKER LABORATORIES, INC. (US) 1990-12-05 EP disclosed
EP-0212848-A2 Substituted-di-t-butylphenols RIKER LABORATORIES, INC. (US) 1987-03-04 EP disclosed