SCHEMBL9709460

SCHEMBL9709460

CCOC(=O)C(O[C]=O)C1c2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.43
TSHR P16473 3/20 0.43
CYP2C19 P33261 1/20 0.43
PIN1 Q13526 1/20 0.38
POLB P06746 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 1/20 0.36
IDO1 P14902 1/20 0.36
HPGD P15428 1/20 0.36
MMP8 P22894 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 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
SCHEMBL9015851 0.87 TSHR (0.42) CYP1A2TSHRCYP2C19MEN1KMT2A
SCHEMBL10435405 0.85 POLB (0.39) CYP1A2TSHRCYP2C19POLBMEN1
SCHEMBL755810 0.84 KMT2A (0.45) CYP1A2TSHRKMT2A
SCHEMBL4906912 0.83 CYP1A2 (0.41) CYP1A2TSHRCYP2C19POLBKMT2A
SCHEMBL3159758 0.82 CYP1A2 (0.35) CYP1A2TSHRCYP2C19POLBALDH1A1
SCHEMBL2890843 0.82 CYP1A2 (0.39) CYP1A2TSHRCYP2C19POLBKMT2A
SCHEMBL653721 0.81 POLB (0.38) CYP1A2TSHRCYP2C19POLBKMT2A
SCHEMBL10937190 0.80 TUBB4A (0.43) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL28152768 0.79 KMT2A (0.39) KMT2A
SCHEMBL19465642 0.79 CYP1A2 (0.46) CYP1A2TSHRCYP2C19PIN1POLB

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
WO-1992021372-A1 CRF ANALOGS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-12-10 WO disclosed