SCHEMBL29642121

SCHEMBL29642121

COC(=O)c1ccccc1C(=O)N1C=Cc2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.43
MYC P01106 1/20 0.41
KMT2A Q03164 3/20 0.41
PRMT5 O14744 2/20 0.41
WDR77 Q9BQA1 2/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 4/20 0.40
ALDH1A1 P00352 3/20 0.40
CFTR P13569 1/20 0.40
KDM4E B2RXH2 3/20 0.39
POLB P06746 2/20 0.39
ATM Q13315 1/20 0.39
ALOX15 P16050 1/20 0.39
HDAC3 O15379 1/20 0.38
HPGD P15428 2/20 0.37
ALOX12 P18054 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL28437625 1.00 TRPA1 (0.43) TRPA1MYCKMT2APRMT5WDR77
SCHEMBL3628702 0.80 P2RX4 (0.46) TRPA1KMT2APRMT5WDR77MEN1
SCHEMBL4554015 0.76 HCRTR1 (0.40) TRPA1PRMT5WDR77ALDH1A1ATM
SCHEMBL4552418 0.75 P2RX4 (0.45) KMT2AMEN1ALDH1A1ATMHDAC3
SCHEMBL6168375 0.75 HSD17B3 (0.49) KMT2AMEN1HDAC3MAPT
SCHEMBL15056964 0.74 HDAC3 (0.41) KMT2AMEN1LMNATSHRALDH1A1
SCHEMBL29493251 0.74 HDAC3 (0.41) KMT2AMEN1LMNATSHRALDH1A1
SCHEMBL4553385 0.74 MEN1 (0.45) KMT2AMEN1KDM4EHDAC3SMN1; SMN2
SCHEMBL4430782 0.73 KDM4E (0.43) ALDH1A1KDM4EHDAC3HPGDSMN1; SMN2
SCHEMBL29950507 0.73 HDAC3 (0.43) KMT2AMEN1TSHRALDH1A1KDM4E

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-111333590-B Preparation method of isoxazolidine hydrochloride 沈阳中化农药化工研发有限公司 2022-05-17 CN disclosed