SCHEMBL21233558

SCHEMBL21233558

COC(=O)C1(C)C=CC=C(c2ccccc2)C=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HTT P42858 2/20 0.37
CYP3A4 P08684 5/20 0.34
TSHR P16473 4/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
IDO1 P14902 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 1/20 0.32
POLB P06746 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
PTGS1 P23219 1/20 0.32
IP6K1 Q92551 1/20 0.31
IP6K3 Q96PC2 1/20 0.31
IP6K2 Q9UHH9 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL21233556 0.73 BACE1 (0.32) TSHRALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL18473578 0.73
SCHEMBL817787 0.72 LMNA (0.30) HPGDLMNA
SCHEMBL19746580 0.72 MEN1 (0.42) MEN1KMT2AHTTCYP3A4TSHR
SCHEMBL17997784 0.71 MEN1 (0.34) MEN1KMT2AHTTCYP3A4TSHR
SCHEMBL21233511 0.71 KDM1A (0.31)
SCHEMBL21861225 0.70 ALDH1A1 (0.37) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL5182782 0.69 MEN1 (0.39) MEN1KMT2AHTTCYP3A4TSHR
SCHEMBL8970782 0.68 MEN1 (0.38) MEN1KMT2AHTTCYP3A4TSHR
SCHEMBL29053322 0.68 MEN1 (0.38) MEN1KMT2AHTTCYP3A4TSHR

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
WO-2020059768-A1 COMPOUND AND METHOD FOR USING SAME 日本ゼオン株式会社 2020-03-26 WO disclosed
WO-2019151263-A1 METHOD FOR PRODUCING 1,1-DISUBSTITUTED HYDRAZINE COMPOUND AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND 日本ゼオン株式会社 2019-08-08 WO disclosed