SCHEMBL28099377

SCHEMBL28099377

Cc1c(C(=O)O)cccc1C(=O)O.Cc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.71
SRD5A2 P31213 3/20 0.60
ALDH1A1 P00352 3/20 0.57
LMNA P02545 1/20 0.57
POLB P06746 2/20 0.56
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
TDP1 Q9NUW8 2/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HSP90AA1 P07900 1/20 0.49
ATM Q13315 2/20 0.49
CDC25B P30305 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
GFER P55789 1/20 0.48

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
Benzophenone SCHEMBL27968650 0.93 AKR1C3 (0.63) AKR1C3SRD5A2ALDH1A1POLBTDP1
SCHEMBL257403 0.87 AKR1C3 (0.67) AKR1C3ALDH1A1POLBKMT2AATM
Benzophenone SCHEMBL5162782 0.84 ALDH1A1 (0.80) AKR1C3SRD5A2ALDH1A1LMNAPOLB
SCHEMBL235 0.84 ALDH1A1 (0.80) AKR1C3SRD5A2ALDH1A1LMNAPOLB
SCHEMBL10877169 0.84 ALDH1A1 (0.80) AKR1C3SRD5A2ALDH1A1LMNAPOLB
SCHEMBL259065 0.84 ALDH1A1 (0.80) AKR1C3SRD5A2ALDH1A1LMNAPOLB
SCHEMBL28467269 0.83 AKR1C3 (0.72) AKR1C3SRD5A2ALDH1A1LMNAPOLB
SCHEMBL29701296 0.83 AKR1C3 (1.00) AKR1C3SRD5A2ALDH1A1LMNAPOLB
SCHEMBL503364 0.83 AKR1C3 (1.00) AKR1C3SRD5A2ALDH1A1LMNAPOLB
SCHEMBL28384877 0.83 AKR1C3 (0.85) AKR1C3SRD5A2ALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107847337-A Ostomy device 科洛普拉斯特公司 2018-03-27 CN disclosed
CN-107428909-A Switchable polyurethane-based adhesives 卢敏纳粘合剂公司 2017-12-01 CN disclosed
CN-107249519-A Ostomy appliance 科洛普拉斯特公司 2017-10-13 CN disclosed
CN-106010311-A Switchable Adhesives 卢敏纳粘合剂公司 2016-10-12 CN disclosed
CN-103249795-B Switchable adhesives 卢敏纳粘合剂公司 2016-08-31 CN disclosed