SCHEMBL28147757

SCHEMBL28147757

O=C(O)c1ccc(C(=O)OCCO)cc1.[AlH3]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
MAPT P10636 1/20 0.50
LMNA P02545 4/20 0.48
TSHR P16473 4/20 0.48
TP53 P04637 1/20 0.48
ESR1 P03372 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CHRM1 P11229 1/20 0.47
SLC6A2 P23975 1/20 0.47
KDR P35968 1/20 0.47
ESR2 Q92731 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
NR1H2 P55055 1/20 0.44
RNASEL Q05823 1/20 0.44
SMN1; SMN2 Q16637 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
Terephthalic Acid SCHEMBL28124476 0.98 TDP1 (0.53) TDP1MAPTLMNATSHRTP53
SCHEMBL37039 0.98 TDP1 (0.53) TDP1MAPTLMNATSHRTP53
SCHEMBL30950765 0.98 TDP1 (0.53) TDP1MAPTLMNATSHRTP53
SCHEMBL29228932 0.96 TDP1 (0.52) TDP1MAPTLMNATSHRTP53
SCHEMBL10329337 0.96 TDP1 (0.52) TDP1MAPTLMNATSHRTP53
SCHEMBL28273507 0.96 TDP1 (0.52) TDP1MAPTLMNATSHRTP53
Water SCHEMBL2784554 0.96 TDP1 (0.52) TDP1MAPTLMNATSHRTP53
Bicarbonate SCHEMBL6905502 0.96 TDP1 (0.52) TDP1MAPTLMNATSHRTP53
SCHEMBL12446490 0.96 TDP1 (0.52) TDP1MAPTLMNATSHRTP53
Ethylene SCHEMBL7613060 0.94 TDP1 (0.50) TDP1MAPTLMNATSHRTP53

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-110446735-A Polyurethane gel composition and application thereof KOSE CORP 2019-11-12 CN disclosed
CN-105553323-B Physiological monitoring sensing belt and manufacturing method thereof, physiological monitoring mattress and monitoring system 纳智源科技(唐山)有限责任公司 2017-05-10 CN disclosed