SCHEMBL18569336

SCHEMBL18569336

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ RXRA P19793 2/20 0.43
▸ RXRB P28702 2/20 0.43
▸ NR4A2 P43354 2/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ PLA2G4B P0C869 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NR4A1 P22736 1/20 0.39

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
SCHEMBL14473046 0.88 CA1 (0.53) TSHRHSD17B10ALDH1A1CA1CA2
SCHEMBL18697467 0.86 TSHR (0.45) TSHRHSD17B10ALDH1A1CA1CA2
SCHEMBL5495923 0.85 CA1 (0.50) TSHRHSD17B10ALDH1A1CA1CA2
SCHEMBL982170 0.80 CA1 (0.52) TSHRHSD17B10ALDH1A1CA1CA2
SCHEMBL18560516 0.79 ALDH1A1 (0.42) ALDH1A1KMT2ASMN1; SMN2PPARGPPARA
SCHEMBL18515332 0.79 NR4A2 (0.46) TSHRHSD17B10ALDH1A1CA1CA2
SCHEMBL19415089 0.79 KDM2B (0.44) ALDH1A1KMT2AMAPK1NPC1POLB
SCHEMBL11693473 0.77 RXRA (0.53) TSHRHSD17B10CA1CA2RXRA
SCHEMBL20627946 0.76 MAPT (0.46) HSD17B10ALDH1A1KMT2AMAPK1POLB
SCHEMBL322440 0.75 CA1 (0.59) TSHRHSD17B10ALDH1A1CA1CA2

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-2637699-B1 DOUBLE-ACYLATED GLP-1 DERIVATIVES WITH A LINKER NOVO NORDISK AS (DK) 2018-05-16 — — EP disclosed
EP-2846824-B1 DOUBLE-ACYLATED GLP-1 DERIVATIVES NOVO NORDISK AS (DK) 2017-04-05 — — EP disclosed
EP-2753642-B1 GLP-1 DERIVATIVES NOVO NORDISK AS (DK) 2017-03-01 — — EP disclosed
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