SCHEMBL25784281

SCHEMBL25784281

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.43
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HRH3 Q9Y5N1 8/20 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
SCHEMBL11508489 0.85 THRB (0.57) THRBTDP1NPC1RAB9APOLB
SCHEMBL25784288 0.82 TSHR (0.38) THRBHPGDTSHRMAPTALDH1A1
SCHEMBL25784280 0.82 TDP1 (0.44) THRBTSHRTDP1NPC1RAB9A
SCHEMBL25784286 0.81 THRB (0.40) THRBHPGDTSHRTDP1NPC1
SCHEMBL22051886 0.80 HIF1A (0.42) THRBHPGDTSHRMAPTALDH1A1
SCHEMBL26085044 0.79 BCL9 (0.54) TDP1NPC1RAB9APOLBCYP2C9
SCHEMBL29320966 0.79 THRB (0.50) THRBTDP1NPC1RAB9APOLB
SCHEMBL12592166 0.79 ALDH1A1 (0.47) THRBHPGDTSHRNPC1RAB9A
SCHEMBL15500169 0.79 ALDH1A1 (0.47) THRBHPGDTSHRNPC1RAB9A
SCHEMBL18027478 0.78 THRB (0.64) THRBHPGDTSHRTDP1MAPT

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