SCHEMBL10948783

SCHEMBL10948783

CC(CCCO)OC(=O)c1ccc(C(=O)OC(C)CCCO)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4A11 Q02928 3/20 0.53
▸ CYP4F2 P78329 2/20 0.53
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ PDCD1 Q15116 1/20 0.43
▸ CD274 Q9NZQ7 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL10948792 0.93 MAPT (0.50) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL19872832 0.91 ALDH1A1 (0.51) CYP4A11CYP4F2TSHRALDH1A1PDCD1
SCHEMBL20306424 0.89 ALDH1A1 (0.48) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL22683373 0.87 LMNA (0.46) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL13866351 0.86 ALDH1A1 (0.54) CYP4A11CYP4F2TSHRALDH1A1PDCD1
SCHEMBL13866325 0.86 ALDH1A1 (0.54) CYP4A11CYP4F2TSHRALDH1A1PDCD1
SCHEMBL20682164 0.85 PDCD1 (0.57) CYP4A11CYP4F2ALDH1A1PDCD1CD274
SCHEMBL7870401 0.85 TSHR (0.56) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL21834922 0.84 TSHR (0.51) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL1704751 0.82 ALDH1A1 (0.64) CA12CA1CA2CA7CA9

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-4499261-A Process for the continuous production of polybutylene terephthalate of high molecular weight DAVY MCKEE AG (DE) 1985-02-12 — — US disclosed
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