SCHEMBL8972254

SCHEMBL8972254

CC(C)(C)c1cc(Nc2ccc(CCC(=O)O)cc2)cc(C(C)(C)C)c1O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.51
GAA P10253 4/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
KMT2A Q03164 1/20 0.46
FFAR1 O14842 9/20 0.46
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
EPHX2 P34913 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
LMNA P02545 1/20 0.42
AGTR1 P30556 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL8971764 0.86 NR1H4 (0.49) NR1H4GAARXRARXRBRXRG
SCHEMBL17911599 0.82 FFAR1 (0.48) NR1H4RXRARXRBRXRGKMT2A
SCHEMBL39190 0.80 GAA (0.66) GAARXRARXRBRXRGKMT2A
SCHEMBL5652618 0.80 FFAR1 (0.63) NR1H4FFAR1ALDH1A1FFAR4
SCHEMBL28419797 0.79 GAA (0.60) GAARXRARXRBRXRGKMT2A
SCHEMBL11368092 0.79 GAA (0.64) GAARXRARXRBRXRGKMT2A
SCHEMBL10554758 0.79 GAA (0.64) GAARXRARXRBRXRGKMT2A
Methane SCHEMBL2168088 0.79 GAA (0.64) GAARXRARXRBRXRGKMT2A
Ammonia Solution, Strong SCHEMBL4047307 0.79 GAA (0.64) GAARXRARXRBRXRGKMT2A
Hydrochloric Acid SCHEMBL7945960 0.79 GAA (0.64) GAARXRARXRBRXRGKMT2A

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