SCHEMBL17375002

SCHEMBL17375002

CCOC(=O)Oc1cc(Cl)ccc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ABCB11 O95342 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.42
PMP22 Q01453 1/20 0.42
PPARA Q07869 1/20 0.42
KDM4E B2RXH2 5/20 0.41
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.41
CUL4A Q13619 1/20 0.40
ALPG P10696 1/20 0.40
ALOX15 P16050 1/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL17379065 0.80 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL1789117 0.80 ALDH1A1 (0.40) ALDH1A1LMNAMEN1KMT2ACYP3A4
SCHEMBL22140424 0.80 NR1H4 (0.53) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL17923907 0.78 ATM (0.53) ALDH1A1TSHRKDM4EGAAALOX15
SCHEMBL4089116 0.78 SMN1; SMN2 (0.52) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL2791258 0.77 KDM4E (0.42) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL17375003 0.77 KMT2A (0.45) LMNAMEN1KMT2AABCB11CYP1A2
SCHEMBL10399132 0.77 ALDH1A1 (0.45) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL18748269 0.76 TSHR (0.45) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL24453339 0.76 PPARG (0.48) MEN1KMT2ASMN1; SMN2CYP1A2TSHR

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
WO-2015197028-A1 COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-12-30 WO disclosed
WO-2015197028-A1 COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-12-30 WO disclosed