SCHEMBL29159366

SCHEMBL29159366

O=C(O)c1ccc(OC(CCl)C2CO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
SRD5A2 P31213 3/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.38
NR4A2 P43354 3/20 0.37
NR4A1 P22736 1/20 0.36
NR4A3 Q92570 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
LTA4H P09960 3/20 0.36
POLB P06746 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
SCHEMBL29159351 0.81 SIRT2 (0.38) KMT2AALDH1A1CA1CA2MEN1
SCHEMBL4946587 0.77 KMT2A (0.59) KMT2ASRD5A2ALDH1A1LMNACASP3
SCHEMBL11967015 0.73 LMNA (0.48) ALDH1A1LMNAPOLB
SCHEMBL11967022 0.71 LMNA (0.46) LMNAPOLB
SCHEMBL6051027 0.70 ALOX15 (0.45) KMT2ASRD5A2ALDH1A1LMNACASP3
SCHEMBL11967032 0.70 LMNA (0.43) ALDH1A1LMNAPOLB
SCHEMBL29145870 0.69 KMT2A (0.51) KMT2ASRD5A2ALDH1A1LMNACASP3
SCHEMBL2449453 0.67 TDP1 (0.62) KMT2AALDH1A1LMNATDP1PKM
SCHEMBL8120865 0.67 TDP1 (0.62) KMT2AALDH1A1LMNATDP1PKM
SCHEMBL8121266 0.67 TDP1 (0.62) KMT2AALDH1A1LMNATDP1PKM

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-117069793-A Bifunctional linker compound, antibody drug conjugate, and preparation methods and applications thereof 杭州爱科瑞思生物医药有限公司 2023-11-17 CN disclosed