SCHEMBL28855741

SCHEMBL28855741

CCC(CC)C(=O)OOc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ HPGD P15428 4/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ POLB P06746 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ CXCL8 P10145 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CASP1 P29466 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ RAB9A P51151 2/20 0.38

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
SCHEMBL27467347 0.81 ALDH1A1 (0.47) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL10738587 0.81 ALDH1A1 (0.39) ALDH1A1HPGDMEN1KMT2AEPHX2
SCHEMBL8404184 0.78 MEN1 (0.42) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL27942340 0.76 LMNA (0.42) ALDH1A1MEN1KMT2APOLBHTT
SCHEMBL3640380 0.76 TDP1 (0.41) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL464968 0.75 MEN1 (0.42) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL27602777 0.75 ALDH1A1 (0.48) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL3363642 0.74 MEN1 (0.41) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL29559021 0.74 MEN1 (0.41) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL27515605 0.74 TSHR (0.49) ALDH1A1HPGDMEN1KMT2APOLB

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
CN-108495553-A Synergistic herbicidal composition 江苏龙灯化学有限公司 2018-09-04 — — CN disclosed
CN-105265461-B A kind of Herbicidal combinations 江苏龙灯化学有限公司 2018-01-16 — — CN disclosed
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