SCHEMBL8971776

SCHEMBL8971776

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
SRD5A2 P31213 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TRPA1 O75762 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
RXRA P19793 4/20 0.38
RXRB P28702 4/20 0.38
RXRG P48443 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 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
SCHEMBL16675402 0.87 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1NPC1POLBKMT2A
SCHEMBL8971653 0.82 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAOBRXRARXRB
SCHEMBL1814868 0.82 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1MEN1NPC1POLB
SCHEMBL2814567 0.79 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1NPC1POLBKMT2A
SCHEMBL8971916 0.79 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1RXRARXRBRXRG
SCHEMBL8971980 0.79 SMN1; SMN2 (0.42) SMN1; SMN2CA1CA2ALDH1A1CA12
SCHEMBL8971498 0.79 SMN1; SMN2 (0.48) SMN1; SMN2CA1CA2SRD5A2CA12
SCHEMBL8971203 0.79 RXRA (0.45) SMN1; SMN2CA1CA2ALDH1A1RXRA
SCHEMBL10364440 0.78 MAPT (0.55) SMN1; SMN2ALDH1A1MEN1KMT2ATDP1
SCHEMBL10358736 0.77 SMN1; SMN2 (0.60) SMN1; SMN2SRD5A2ALDH1A1RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7053485-A None JP disclosed
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
JP-H0753485-A SUBSTITUTED DI-T-BUTYLCYCLOHEXADIENONE RIKER LAB INC 1995-02-28 JP 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