SCHEMBL7993184

SCHEMBL7993184

OC(CCc1ccccc1)C(Cl)Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
ANPEP P15144 2/20 0.44
ERAP1 Q9NZ08 2/20 0.44
ERAP2 Q6P179 1/20 0.44
ACP3 P15309 1/20 0.43
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
KCNH2 Q12809 1/20 0.42
CNR2 P34972 1/20 0.42
TSHR P16473 1/20 0.42
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
DPP4 P27487 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL30146580 0.86 TDP1 (0.52) TDP1ANPEPERAP1ERAP2ACP3
SCHEMBL7268763 0.86 TDP1 (0.52) TDP1ANPEPERAP1ERAP2ACP3
SCHEMBL30146557 0.86 TDP1 (0.52) TDP1ANPEPERAP1ERAP2ACP3
Hydrochloric Acid SCHEMBL9848355 0.84 MAOB (0.50) TDP1ANPEPERAP1ERAP2ACP3
SCHEMBL3023405 0.83 ANPEP (0.50) TDP1ANPEPERAP1ERAP2ACP3
SCHEMBL5170558 0.83 ANPEP (0.50) TDP1ANPEPERAP1ERAP2ACP3
SCHEMBL5139180 0.83 ANPEP (0.50) TDP1ANPEPERAP1ERAP2ACP3
SCHEMBL10495575 0.83 ANPEP (0.42) TDP1ANPEPERAP1ERAP2ACP3
SCHEMBL3791903 0.82 TDP1 (0.48) TDP1ANPEPERAP1ERAP2ACP3
SCHEMBL29187623 0.81 ALDH1A1 (0.48) TDP1ANPEPERAP1ERAP2ACP3

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-115141159-A Application of bis (fluorosulfonyl) imide as catalyst 中国科学院上海有机化学研究所 2022-10-04 CN disclosed
CN-113121799-B Application of bis (fluorosulfonyl) imide as catalyst 中国科学院上海有机化学研究所 2022-07-19 CN disclosed
CN-113121799-A Application of bis (fluorosulfonyl) imide as catalyst 中国科学院上海有机化学研究所 2021-07-16 CN disclosed
US-6288297-B1 REACTION OF ALDEHYDE WITH TRICHLOROACETIC ACID OR TRIBROMOACETIC ACID IN THE PRESENCE OF BASE CATALYST TO FORM HALOGENATED ALCOHOL, ETHERIFICATION IN THE PRESENCE OF COUPLING CATALYST AND ACID SCAVENGER DUPONT PHARMACEUTICALS COMPANY 2001-09-11 US disclosed