SCHEMBL11099034

SCHEMBL11099034

CCOC(=O)c1sc(C(=O)OCC)c(OC(=O)c2ccco2)c1OC(=O)c1ccco1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.56
▸ KDM4E B2RXH2 4/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ KMT2A Q03164 8/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ MAPT P10636 5/20 0.52
▸ F2 P00734 2/20 0.52
▸ HPGD P15428 3/20 0.52
▸ TDP1 Q9NUW8 2/20 0.51
▸ ADORA2A P29274 1/20 0.51
▸ ADORA1 P30542 1/20 0.51
▸ PPARG P37231 1/20 0.51
▸ NCOA2 Q15596 1/20 0.51
▸ NCOA1 Q15788 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ PHGDH O43175 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50

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
SCHEMBL859237 0.83 NPC1 (0.61) ALDH1A1KDM4ERAB9ASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL27676954 0.81 NPC1 (0.60) ALDH1A1KDM4ERAB9ASMN1; SMN2KMT2A
SCHEMBL28204092 0.81 NPC1 (0.60) ALDH1A1KDM4ERAB9ASMN1; SMN2KMT2A
SCHEMBL10407735 0.78 ALDH1A1 (0.75) ALDH1A1KDM4ERAB9ASMN1; SMN2KMT2A
SCHEMBL28356552 0.77 NPC1 (0.56) ALDH1A1KDM4ERAB9ASMN1; SMN2KMT2A
SCHEMBL8876206 0.76 KMT2A (0.49) ALDH1A1KDM4ERAB9ASMN1; SMN2KMT2A
SCHEMBL11097691 0.74 KMT2A (0.55) ALDH1A1KDM4ERAB9ASMN1; SMN2KMT2A
Ethoxycarbonyl Group SCHEMBL28796962 0.74 NPC1 (0.52) ALDH1A1KDM4ERAB9ASMN1; SMN2KMT2A
Methacrylic Acid SCHEMBL20556204 0.74 NPC1 (0.52) ALDH1A1KDM4ERAB9ASMN1; SMN2KMT2A
SCHEMBL5311362 0.72 KMT2A (0.56) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0032748-B1 THIOPHENE DERIVATIVES UBE INDUSTRIES, LTD. (JP) 1984-08-01 — — EP disclosed
US-4421761-A FUNGICIDES HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 1983-12-20 — — US disclosed
EP-0032748-A1 Thiophene derivatives UBE INDUSTRIES, LTD. (JP) 1981-07-29 — — EP disclosed
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