SCHEMBL15929949

SCHEMBL15929949

CC1CCC(c2ccc(C(=O)Oc3cc(F)c(C#N)c(F)c3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD11B1 P28845 1/20 0.34
KMT2A Q03164 1/20 0.34
FASN P49327 3/20 0.34
KDM1A O60341 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
IDH1 O75874 1/20 0.33
PARP10 Q53GL7 2/20 0.32
PARP14 Q460N5 1/20 0.32
PRSS1 P07477 1/20 0.32
ACR P10323 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL6456828 0.89 FASN (0.33) ALDH1A1SMN1; SMN2KMT2AFASNKDM1A
SCHEMBL6456829 0.89 FASN (0.33) ALDH1A1SMN1; SMN2KMT2AFASNKDM1A
SCHEMBL21237873 0.88 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2KMT2ACYP2C9
SCHEMBL13408557 0.87 ESR2 (0.43) ESR2ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL12152977 0.86 KDM1A (0.38) ESR2ALDH1A1MAPTSMN1; SMN2HSD11B1
SCHEMBL12892553 0.86 KDM1A (0.38) ESR2ALDH1A1MAPTSMN1; SMN2HSD11B1
SCHEMBL15248799 0.86 CYP2C9 (0.51) ESR2ALDH1A1MAPTSMN1; SMN2HSD11B1
SCHEMBL91899 0.86 ESR2 (0.31) ESR2ALDH1A1HPGDTSHRHSD17B10
SCHEMBL13636902 0.85 ESR2 (0.36) ESR2ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL8061476 0.85 CYP2C9 (0.37) ALDH1A1MAPTSMN1; SMN2HSD11B1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160130502-A1 LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2016-05-12 US disclosed
US-20140217325-A1 LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME MERCK PATENT GMBH (DE) 2014-08-07 US disclosed