SCHEMBL14487995

SCHEMBL14487995

CCOC(=O)Cc1c(C(C)C)n[nH]c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PDE4D Q08499 1/20 0.42
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL14556062 0.80 KDM4E (0.40) KDM4EALDH1A1LMNAGAAKMT2A
SCHEMBL509207 0.80 PDE4D (0.56) HSD17B10KDM4EALDH1A1HPGDCA12
SCHEMBL14556069 0.78 KDM4E (0.51) HSD17B10KDM4EALDH1A1HPGDCA12
SCHEMBL14556107 0.75 MAPK1 (0.44) HSD17B10KDM4EALDH1A1HPGDCA12
SCHEMBL23028359 0.74 MEN1 (0.36) KDM4EMAPK1SMN1; SMN2TSHRLMNA
SCHEMBL25664507 0.71 GAA (0.57) HSD17B10KDM4EALDH1A1CA12CA1
SCHEMBL14488430 0.69 KDM4E (0.41) KDM4EALDH1A1MAPK1SMN1; SMN2TSHR
SCHEMBL13448513 0.69 LMNA (0.35) HSD17B10KDM4EMAPK1SMN1; SMN2LMNA
SCHEMBL18770421 0.69 MAPK1 (0.48) HSD17B10KDM4EALDH1A1HPGDCA12
SCHEMBL874634 0.69 LMNA (0.55) HSD17B10KDM4EALDH1A1HPGDCA12

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-2013006792-A1 ANTIVIRAL COMPOUNDS PHARMARESOURCES (SHANGHAI) CO., LTD. (CN) 2013-01-10 WO disclosed
WO-2013006792-A1 ANTIVIRAL COMPOUNDS PHARMARESOURCES (SHANGHAI) CO., LTD. (CN) 2013-01-10 WO disclosed