SCHEMBL4040809

SCHEMBL4040809

COc1ccc(C(=O)O)c(-c2c(C)c(C)c3oc(C)c(-c4ccc(C)cc4)c3c2C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.42
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MAOB P27338 2/20 0.39
ADORA1 P30542 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
CFTR P13569 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
HPGD P15428 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 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
SCHEMBL2904866 0.90 GPR35 (0.40) GPR35AKR1C3AKR1C2SMN1; SMN2MAPT
SCHEMBL8566031 0.76 SMN1; SMN2 (0.64) AKR1C3AKR1C2SMN1; SMN2MAOBCFTR
SCHEMBL2907418 0.72 SMN1; SMN2 (0.50) SMN1; SMN2MAOBMAPTATMALDH1A1
SCHEMBL7591657 0.69 SMN1; SMN2 (0.75) GPR35AKR1C3AKR1C2SMN1; SMN2MAPT
SCHEMBL6492271 0.68 SMN1; SMN2 (0.84) AKR1C3AKR1C2SMN1; SMN2MAOBMAPT
SCHEMBL5696709 0.68 SMN1; SMN2 (0.64) GPR35AKR1C3AKR1C2SMN1; SMN2MAOB
SCHEMBL4044977 0.67 KDM4E (0.41) GPR35SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL9683222 0.66 SMN1; SMN2 (0.64) GPR35AKR1C3AKR1C2SMN1; SMN2MAPT
SCHEMBL9151080 0.66 SMN1; SMN2 (0.64) AKR1C3AKR1C2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL989189 0.66 SMN1; SMN2 (0.64) GPR35AKR1C3AKR1C2SMN1; SMN2ALDH1A1

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