SCHEMBL2904866

SCHEMBL2904866

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
AKR1C3 P42330 4/20 0.36
AKR1C2 P52895 4/20 0.36
PTGS2 P35354 3/20 0.36
PTGS1 P23219 2/20 0.36
TSHR P16473 2/20 0.36
CDC42 P60953 1/20 0.36
RAC1 P63000 1/20 0.36
CYP1A2 P05177 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 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
SCHEMBL2911974 0.91 KDM4E (0.37) GPR35SMN1; SMN2AKR1C3AKR1C2PTGS2
SCHEMBL4040809 0.90 GPR35 (0.42) GPR35SMN1; SMN2AKR1C3AKR1C2CYP1A2
SCHEMBL27616643 0.82 MAPT (0.40) SMN1; SMN2PTGS2KDM4EALDH1A1HPGD
SCHEMBL6550172 0.77 SMN1; SMN2 (0.59) GPR35SMN1; SMN2AKR1C3AKR1C2PTGS2
SCHEMBL2904869 0.74 MAPT (0.41) SMN1; SMN2CYP1A2ALDH1A1HPGDPOLB
SCHEMBL2914394 0.74 ALOX5 (0.37) GPR35SMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL2911971 0.73 RAB9A (0.44) GPR35SMN1; SMN2ALDH1A1MAPT
SCHEMBL2914392 0.71 CACNA1H (0.47) SMN1; SMN2KDM4EALDH1A1HPGDMAPT
SCHEMBL4044393 0.70 GPR35 (0.39) GPR35SMN1; SMN2AKR1C3AKR1C2TSHR
SCHEMBL7240393 0.70 SMN1; SMN2 (0.77) GPR35SMN1; SMN2AKR1C3AKR1C2PTGS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481679-B1 ANTIDEPRESSANT TAKEDA PHARMACEUTICAL (JP) 2010-08-25 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 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