SCHEMBL7916965

SCHEMBL7916965

C=C(c1ccccc1)c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
ALDH1A1 P00352 3/20 0.45
ALOX15 P16050 1/20 0.45
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
PTPN1 P18031 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
ALB P02768 1/20 0.38
ACHE P22303 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
SCHEMBL29883186 1.00 CES2 (0.48) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL10389931 0.87 LMNA (0.46) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL28773077 0.84 CES2 (0.42) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL5694037 0.83 MEN1 (0.48) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL4585877 0.82 KMT2A (0.43) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL28912784 0.79 CES2 (0.48) CES2CES1ALDH1A1KMT2AMEN1
SCHEMBL20909541 0.78 CES2 (0.54) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL6445437 0.77 KMT2A (0.45) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL29883083 0.77 KMT2A (0.45) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL14672502 0.77 NPC1 (0.54) SMN1; SMN2NPC1RAB9AGAAMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197036-B Method for performing anti-mahalanobis hydrogen carboxylation reaction on photocatalytic olefin compound and carbon dioxide 中国科学院理化技术研究所 2024-01-23 CN disclosed
CN-115197036-A Method for carrying out anti-Ma hydrocarboxylation reaction on olefin compound and carbon dioxide by photocatalysis 中国科学院理化技术研究所 2022-10-18 CN disclosed
CN-112608222-A Method for preparing aldehyde ketone compound by olefin oxidation 三峡大学 2021-04-06 CN disclosed
US-6210516-B1 Process of enhanced chemical bonding by electron seam radiation NOHR RONALD SINCLAIR (US) 2001-04-03 US disclosed