SCHEMBL28402152

SCHEMBL28402152

CCC(OC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
TP53 P04637 1/20 0.58
LMNA P02545 4/20 0.50
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
F2 P00734 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP2D6 P10635 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43

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
SCHEMBL18668803 0.93 TSHR (0.51) TSHRTP53LMNAPDCD1CD274
Phenol SCHEMBL28543555 0.93 TSHR (0.51) TSHRTP53LMNAPDCD1CD274
SCHEMBL9636482 0.86 CA12 (0.58) TSHRTP53LMNAALDH1A1CYP2D6
SCHEMBL18668783 0.86 TDP1 (0.48) TSHRTP53LMNAPDCD1CD274
SCHEMBL18668870 0.86 ALDH1A1 (0.53) TSHRTP53PDCD1CD274ALDH1A1
SCHEMBL11572142 0.86 TSHR (0.55) TSHRTP53LMNAPDCD1CD274
SCHEMBL27471197 0.86 TSHR (0.50) TSHRTP53LMNAPDCD1CD274
SCHEMBL9636474 0.86 CA12 (0.58) TSHRTP53LMNAALDH1A1CYP2D6
SCHEMBL27683005 0.86 TSHR (0.50) TSHRTP53LMNAPDCD1CD274
SCHEMBL10626466 0.85 TSHR (0.50) TSHRTP53LMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111240156-A Photosensitive resin composition, method for producing patterned cured film, and patterned cured film 东京应化工业株式会社 2020-06-05 CN disclosed