SCHEMBL25784286

SCHEMBL25784286

C=CC(=O)OCCNC(=O)Oc1ccc(C(C)(C)CC)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MGLL Q99685 5/20 0.39
TRPV1 Q8NER1 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL10327368 0.89 TRPV1 (0.40) THRBHPGDTSHRMGLLTRPV1
SCHEMBL10326984 0.86 THRB (0.41) THRBHPGDTSHRMGLLTRPV1
SCHEMBL15806360 0.86 ALDH1A1 (0.41) THRBHPGDTSHRMGLLTRPV1
SCHEMBL13573735 0.85 TRPV1 (0.42) THRBHPGDTSHRMGLLTRPV1
SCHEMBL10326586 0.84 TRPV1 (0.37) THRBHPGDTSHRMGLLTRPV1
SCHEMBL25784283 0.83 TDP1 (0.41) TDP1MGLLTRPV1SMN1; SMN2NPC1
SCHEMBL13573772 0.83 KDM4E (0.41) THRBHPGDTSHRMGLLTRPV1
SCHEMBL22647989 0.83 THRB (0.50) THRBHPGDTSHRMGLLSMN1; SMN2
SCHEMBL17350730 0.82 THRB (0.42) THRBHPGDTSHRMGLLSMN1; SMN2
SCHEMBL22652910 0.82 NPC1 (0.43) THRBHPGDTSHRMGLLSMN1; 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
US-20230217718-A1 METHOD FOR PRODUCING LIGHT-EMITTING ELEMENTS CENTRAL GLASS COMPANY, LIMITED (JP) 2023-07-06 US disclosed