SCHEMBL4044393

SCHEMBL4044393

COc1ccc(C(=O)O)c(-c2c(C)c(C)c3oc(C)cc3c2C)c1-c1ccc(C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.39
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSA P10619 6/20 0.38
AKR1C2 P52895 2/20 0.35
DHODH Q02127 2/20 0.35
AKR1C1 Q04828 1/20 0.35
AKR1C3 P42330 1/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34

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
SCHEMBL4044977 0.89 KDM4E (0.41) GPR35HSD17B10KDM4ENPC1ALDH1A1
SCHEMBL593799 0.72 MAPT (0.53) HSD17B10KDM4ENPC1ALDH1A1MAPK1
SCHEMBL6695055 0.71 FABP3 (0.53) HSD17B10KDM4ENPC1ALDH1A1RAB9A
SCHEMBL73952 0.71 ALDH1A1 (0.47) HSD17B10KDM4ENPC1ALDH1A1MAPK1
SCHEMBL2904866 0.70 GPR35 (0.40) GPR35HSD17B10KDM4EALDH1A1SMN1; SMN2
SCHEMBL4044343 0.69 KDM4E (0.42) GPR35KDM4EHTTPOLB
SCHEMBL11418034 0.69 DHODH (0.49) GPR35KDM4ENPC1MAPK1RAB9A
SCHEMBL2493749 0.68 ALDH1A1 (0.59) HSD17B10KDM4EALDH1A1MAPTHTT
SCHEMBL12171992 0.66 NPC1 (0.53) HSD17B10KDM4ENPC1ALDH1A1MAPK1
SCHEMBL487560 0.65 ALDH1A1 (0.50) HSD17B10KDM4EALDH1A1MAPTPOLB

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-1323716-B1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS TAKEDA PHARMACEUTICAL (JP) 2009-01-14 EP claimed
EP-1323716-B1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS TAKEDA PHARMACEUTICAL (JP) 2009-01-14 EP disclosed