SCHEMBL28540948

SCHEMBL28540948

CC(C(=O)O)c1cc2cccc3c4cccc5cccc(c(c1)c23)c54

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.58
AKR1C3 P42330 11/20 0.48
AKR1C2 P52895 11/20 0.48
PTGS2 P35354 6/20 0.44
PTGS1 P23219 5/20 0.44
MAPT P10636 2/20 0.44
CXCR1 P25024 2/20 0.44
CXCR2 P25025 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SLC22A6 Q4U2R8 2/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
PMP22 Q01453 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CXCL8 P10145 1/20 0.44

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
SCHEMBL5593608 0.86 AKR1B1 (0.60) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL23064837 0.74 ALDH1A1 (0.42) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL11458752 0.74 AKR1B1 (0.60) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL11517522 0.74 AKR1B1 (1.00) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
Acetic Acid SCHEMBL29538855 0.72 ALDH1A1 (0.50) MAPTKDM4EALDH1A1CYP3A4HPGD
Acetic Acid SCHEMBL28706282 0.72 ALDH1A1 (0.50) MAPTKDM4EALDH1A1CYP3A4HPGD
Acetic Acid SCHEMBL28736368 0.72 ALDH1A1 (0.50) MAPTKDM4EALDH1A1CYP3A4HPGD
SCHEMBL4628576 0.72 CYP1A2 (0.50) MAPTKDM4EALDH1A1CYP3A4HPGD
SCHEMBL636521 0.72 CYP1A2 (0.50) MAPTKDM4EALDH1A1CYP3A4HPGD
Bicarbonate SCHEMBL636595 0.72 CYP1A2 (0.55) MAPTKDM4EALDH1A1CYP3A4HPGD

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-112457487-A Polyamide with pendant optical absorbers and related methods 施乐公司 2021-03-09 CN claimed
CN-112457485-A Particles comprising polyamides with pendant optical absorbers and related methods 施乐公司 2021-03-09 CN disclosed
CN-112457487-A Polyamide with pendant optical absorbers and related methods 施乐公司 2021-03-09 CN disclosed
CN-112457504-A Light absorbing thermoplastic polymer particles and methods of making and using the same 施乐公司 2021-03-09 CN disclosed