SCHEMBL28287532

SCHEMBL28287532

CN(C)c1ccc(CC(=O)O)cc1.O=C(O)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.54
RXRG P48443 8/20 0.54
RXRB P28702 7/20 0.54
PSEN1 P49768 1/20 0.54
PSEN2 P49810 1/20 0.54
APH1B Q8WW43 1/20 0.54
NCSTN Q92542 1/20 0.54
APH1A Q96BI3 1/20 0.54
PSENEN Q9NZ42 1/20 0.54
NR1H4 Q96RI1 2/20 0.54
KCNH2 Q12809 3/20 0.53
CYP2C9 P11712 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
CCR3 P51677 1/20 0.47
TBXA2R P21731 1/20 0.46
PTGDR Q13258 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
PPARG P37231 1/20 0.44

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
SCHEMBL267205 0.86 RXRA (0.68) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL202439 0.86 CA2 (0.56) RXRARXRBNR1H4CYP3A4
SCHEMBL28287472 0.86 MEN1 (0.51) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL28287531 0.84 KCNH2 (0.51) KCNH2CYP2C9CYP3A4CYP2D6CYP2C19
Water SCHEMBL28015733 0.84 RXRA (0.66) RXRARXRGRXRBPSEN1PSEN2
Hydrochloric Acid SCHEMBL2528774 0.84 RXRA (0.66) RXRARXRGRXRBPSEN1PSEN2
Hydrochloric Acid SCHEMBL5113831 0.84 CA2 (0.54) RXRARXRBNR1H4CYP3A4
SCHEMBL5449110 0.81 RXRA (0.51) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL2272003 0.81 RXRA (0.77) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL11031787 0.80 NR1H4 (0.49) RXRARXRGRXRBNR1H4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641844-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2019-04-16 CN disclosed