SCHEMBL20152482

SCHEMBL20152482

Cc1ccc(C(=O)Oc2cc(C)c(C#N)c(C)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
LMNA P02545 1/20 0.49
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
HSD17B10 Q99714 2/20 0.47
PRSS1 P07477 2/20 0.46
ACR P10323 2/20 0.46
GBA1 P04062 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL11911606 0.85 KMT2A (0.49) KMT2ACYP1A2CYP2C9LMNAALDH1A1
SCHEMBL11893342 0.81 CYP1A2 (0.48) KMT2ACYP1A2CYP2C9LMNAALDH1A1
SCHEMBL10093730 0.78 KMT2A (0.61) KMT2ACYP1A2CYP2C9LMNAALDH1A1
SCHEMBL27664158 0.78 KMT2A (0.61) KMT2ACYP1A2CYP2C9LMNAALDH1A1
SCHEMBL11709820 0.78 PRSS1 (0.62) KMT2ACYP1A2CYP2C9LMNAALDH1A1
SCHEMBL6864700 0.78 PRSS1 (0.62) KMT2ACYP1A2CYP2C9LMNAALDH1A1
SCHEMBL13527668 0.77 KMT2A (0.61) KMT2ACYP1A2CYP2C9LMNAALDH1A1
SCHEMBL9663961 0.75 PRSS1 (0.69) KMT2ACYP1A2CYP2C9LMNAALDH1A1
SCHEMBL8929987 0.75 PRSS1 (0.69) KMT2ACYP1A2CYP2C9LMNAALDH1A1
SCHEMBL2741098 0.75 PRSS1 (0.69) KMT2ACYP1A2CYP2C9LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180171234-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-06-21 US disclosed
US-20180171229-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2018-06-21 US disclosed
US-20180134961-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-05-17 US disclosed