SCHEMBL8971203

SCHEMBL8971203

CC(C)(C)C1=CC(=Nc2ccc(CCC(=O)O)cc2)C=C(C(C)(C)C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
FFAR1 O14842 5/20 0.41
NR1H4 Q96RI1 2/20 0.41
EPHX2 P34913 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KEAP1 Q14145 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP26B1 Q9NR63 3/20 0.39
CYP26A1 O43174 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL16675402 0.81 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1NPSR1
SCHEMBL8971980 0.73 SMN1; SMN2 (0.42) SMN1; SMN2FFAR1LMNAL3MBTL1CA1
SCHEMBL846131 0.69 NR1H4 (0.71) RXRARXRBRXRGFFAR1NR1H4
SCHEMBL69746 0.68 FFAR1 (0.81) SMN1; SMN2FFAR1LMNAL3MBTL1CA1
SCHEMBL23665763 0.67 CA1 (0.53) RXRARXRBRXRGFFAR1LMNA
SCHEMBL18902133 0.67 FFAR1 (0.61) SMN1; SMN2FFAR1LMNAL3MBTL1CA1
Hydrochloric Acid SCHEMBL25264643 0.66 FFAR1 (0.77) SMN1; SMN2FFAR1LMNAL3MBTL1CA1
SCHEMBL8971390 0.66 SMN1; SMN2 (0.49) SMN1; SMN2LMNACA2ALDH1A1NPSR1
SCHEMBL27925098 0.66 FFAR1 (0.59) RXRARXRBRXRGFFAR1NR1H4
SCHEMBL6461702 0.65 FFAR1 (0.53) RXRARXRBRXRGFFAR1NR1H4

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