SCHEMBL8971980

SCHEMBL8971980

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
HCAR2 Q8TDS4 2/20 0.41
PKM P14618 2/20 0.41
CA12 O43570 2/20 0.41
AKR1B10 O60218 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA3 P07451 2/20 0.41
AKR1B1 P15121 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
DPP4 P27487 2/20 0.41
CA5A P35218 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
ESR1 P03372 1/20 0.41
TYR P14679 1/20 0.41
ESR2 Q92731 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
SCHEMBL16675402 0.81 SMN1; SMN2 (0.57) SMN1; SMN2PKMATMALDH1A1KMT2A
SCHEMBL10359067 0.79 ESR1 (0.40) SMN1; SMN2HCAR2PKMCA12AKR1B10
SCHEMBL1814868 0.76 SMN1; SMN2 (0.61) SMN1; SMN2PKMMAPK1THRBATM
SCHEMBL8971203 0.73 RXRA (0.45) SMN1; SMN2CA1CA2CYP26A1CYP26B1
SCHEMBL12103681 0.71 SMN1; SMN2 (0.44) SMN1; SMN2CA1CA2TYRCYP1A2
SCHEMBL10364440 0.70 MAPT (0.55) SMN1; SMN2PKMKDM4ETHRBALDH1A1
SCHEMBL846833 0.69 CYP1A2 (0.75) SMN1; SMN2HCAR2PKMCA12AKR1B10
SCHEMBL4001354 0.69 CYP1A2 (0.75) SMN1; SMN2HCAR2PKMCA12AKR1B10
SCHEMBL818742 0.69 CYP1A2 (0.75) SMN1; SMN2HCAR2PKMCA12AKR1B10
SCHEMBL713717 0.68 HCAR2 (0.81) SMN1; SMN2HCAR2PKMCA12AKR1B10

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