SCHEMBL28637019

SCHEMBL28637019

O=C(OCCCS)c1ccccc1C(=O)OCCCS

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 8/20 0.67
▸ TDP1 Q9NUW8 5/20 0.67
▸ L3MBTL1 Q9Y468 3/20 0.67
▸ CYP3A4 P08684 4/20 0.65
▸ MAPK1 P28482 3/20 0.65
▸ TP53 P04637 2/20 0.65
▸ ALDH1A1 P00352 8/20 0.62
▸ LMNA P02545 1/20 0.62
▸ HSD17B10 Q99714 3/20 0.53
▸ KDM4E B2RXH2 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ NPC1 O15118 2/20 0.48
▸ GLA P06280 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ SCN1A P35498 1/20 0.44
▸ SCN2A Q99250 1/20 0.44
▸ SCN3A Q9NY46 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
SCHEMBL28636655 0.94 TSHR (0.68) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL11170707 0.88 ALDH1A1 (0.64) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL2257427 0.82 TDP1 (0.78) TSHRTDP1MAPK1ALDH1A1LMNA
SCHEMBL1513967 0.82 TSHR (0.69) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL31657765 0.80 TSHR (0.70) TSHRTDP1L3MBTL1CYP3A4MAPK1
Dibutyl Phthalate SCHEMBL24051 0.80 TSHR (1.00) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL5709795 0.80 TSHR (0.70) TSHRTDP1L3MBTL1CYP3A4MAPK1
Dibutyl Phthalate SCHEMBL2330224 0.80 TSHR (1.00) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL1308818 0.80 TSHR (0.70) TSHRTDP1L3MBTL1CYP3A4MAPK1
Dibutyl Phthalate SCHEMBL4596231 0.80 TSHR (1.00) TSHRTDP1L3MBTL1CYP3A4MAPK1

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-113444340-B Resin composition 味之素株式会社 2025-06-10 — — CN disclosed
CN-113444340-A Resin composition 味之素株式会社 2021-09-28 — — CN disclosed
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