SCHEMBL17386133

SCHEMBL17386133

COc1cc(C)c2c(c1)CCOc1ccc(C(=O)O)cc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
FABP4 P15090 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GPR183 P32249 1/20 0.39
RXRA P19793 1/20 0.39
TBXA2R P21731 4/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
PKM P14618 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ATM Q13315 1/20 0.39
PTGER3 P43115 1/20 0.39
TTR P02766 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38

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
SCHEMBL17418007 0.89 TSHR (0.45) LMNAKDM4EGPR183RAB9ANPC1
SCHEMBL17429674 0.79 PTGER3 (0.47) LMNAKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL17385947 0.78 FFAR1 (0.41) LMNAALDH1A1MAPK1
SCHEMBL17385984 0.78 TSHR (0.43) LMNAFABP4KDM4ERAB9ANPC1
SCHEMBL17386253 0.77 ALDH1A1 (0.44) LMNAKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL17386246 0.77 TSHR (0.39) LMNAKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL17385995 0.76 LMNA (0.39) LMNARAB9ANPC1MAPTALDH1A1
SCHEMBL17386007 0.76 FFAR1 (0.39) LMNARAB9ANPC1SMN1; SMN2PTGER3
SCHEMBL17400069 0.76 TSHR (0.38) LMNAKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL6293635 0.74 ALDH1A1 (0.51) FABP4RAB9ANPC1PKMTTR

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
EP-2963027-B1 TRICYCLIC COMPOUND AND USE THEREOF TIUMBIO CO LTD (KR) 2018-12-26 EP disclosed
EP-2963027-A1 TRICYCLIC COMPOUND AND USE THEREOF SK Chemicals Co., Ltd. (KR) 2016-01-06 EP disclosed