SCHEMBL27677805

SCHEMBL27677805

CCOC(=O)c1c(C)c(C)cn1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
F2RL3 Q96RI0 1/20 0.53
ALDH1A1 P00352 4/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
P2RX7 Q99572 1/20 0.47
CASP3 P42574 1/20 0.45
CYP19A1 P11511 1/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL8909794 0.92 CRHBP (0.54) CRHBPCRHR2F2RL3ALDH1A1LMNA
SCHEMBL15497048 0.82 F2RL3 (0.53) CRHBPCRHR2F2RL3ALDH1A1LMNA
SCHEMBL15497072 0.81 F2RL3 (0.52) CRHBPCRHR2F2RL3ALDH1A1LMNA
SCHEMBL4049880 0.81 CRHBP (0.82) CRHBPCRHR2F2RL3ALDH1A1LMNA
SCHEMBL2302918 0.80 CRHBP (0.62) CRHBPCRHR2F2RL3ALDH1A1LMNA
SCHEMBL5671719 0.80 CRHBP (0.72) CRHBPCRHR2F2RL3ALDH1A1LMNA
SCHEMBL4052334 0.79 CRHBP (0.61) CRHBPCRHR2F2RL3ALDH1A1LMNA
SCHEMBL27934873 0.78 HPGD (0.46) CRHBPCRHR2ALDH1A1LMNATSHR
SCHEMBL14125069 0.78 CRHBP (0.57) CRHBPCRHR2F2RL3ALDH1A1LMNA
SCHEMBL9826759 0.77 CRHBP (0.56) CRHBPCRHR2F2RL3ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1958588-A Synthesis of a kind of compound of new beta - octamethylporphyrin, and application SHANGHAI TEACHER S UNIV (CN) 2007-05-09 CN disclosed