SCHEMBL29283301

SCHEMBL29283301

CCC(COC/C=C/C(=O)OC)OCCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.36
HDAC4 P56524 6/20 0.36
HDAC6 Q9UBN7 6/20 0.36
HDAC3 O15379 6/20 0.36
HDAC2 Q92769 6/20 0.36
HDAC8 Q9BY41 6/20 0.36
HDAC7 Q8WUI4 5/20 0.36
HDAC10 Q969S8 5/20 0.36
HDAC11 Q96DB2 5/20 0.36
HDAC9 Q9UKV0 5/20 0.36
HDAC5 Q9UQL6 5/20 0.36
RORC P51449 1/20 0.36
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 2/20 0.35
NCOR2 Q9Y618 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL25028482 0.80 HDAC1 (0.41) HDAC1HDAC4HDAC6HDAC3HDAC2
SCHEMBL25030170 0.75 SIGMAR1 (0.38) HDAC1HDAC4HDAC6POLBRAB9A
SCHEMBL30233881 0.75 SIGMAR1 (0.38) HDAC1HDAC4HDAC6POLBRAB9A
SCHEMBL16090969 0.74 ALDH1A1 (0.50) HDAC1HDAC4HDAC6HDAC3HDAC2
SCHEMBL30233983 0.73 TSHR (0.39) HDAC1HDAC4HDAC6HDAC3HDAC2
SCHEMBL25030421 0.73 TSHR (0.39) HDAC1HDAC4HDAC6HDAC3HDAC2
SCHEMBL27311606 0.72 RAB9A (0.44) POLBRAB9A
SCHEMBL22151652 0.70 MAPT (0.46) POLBRAB9ATSHRALDH1A1
SCHEMBL31637826 0.70 MAPT (0.46) POLBRAB9ATSHRALDH1A1
SCHEMBL9941822 0.70 TSHR (0.42) TSHR

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-118103074-A Cytotoxic targeting chimeras for CCR2 expressing cells 葛兰素史克知识产权发展有限公司 2024-05-28 CN disclosed