SCHEMBL11806074

SCHEMBL11806074

O=C(O)c1cc(O)ccc1C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.53
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
ALOX5 P09917 1/20 0.48
PTGS2 P35354 1/20 0.48
KMO O15229 1/20 0.46
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
CAMKK2 Q96RR4 3/20 0.42
SERPINE1 P05121 2/20 0.40
LMNA P02545 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
SCHEMBL3443366 0.86 ACMSD (0.53) ACMSDCA12CA1CA2CA7
SCHEMBL11776420 0.81 KDM4E (0.51) ACMSDCA12CA1CA2CA7
SCHEMBL3660553 0.79 KDM4E (0.50) ACMSDCA12CA1CA2CA7
SCHEMBL18863213 0.79 PTGDR2 (0.51) ACMSDKMOCAMKK2HTTPTGDR2
SCHEMBL17699117 0.77 CHRNB2 (0.55) KMOALDH1A1KDM4EMEN1MAPT
SCHEMBL300805 0.77 ACMSD (0.50) ACMSDCA12CA1CA2CA7
SCHEMBL31011018 0.77 ACMSD (0.50) ACMSDCA12CA1CA2CA7
SCHEMBL9403931 0.77 ACMSD (0.50) ACMSDCA12CA1CA2CA7
SCHEMBL10790290 0.77 ACMSD (0.50) ACMSDCA12CA1CA2CA7
SCHEMBL10790137 0.77 ACMSD (0.50) ACMSDCA12CA1CA2CA7

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
US-3985797-A Hydroxylation of aromatic compounds UOP INC. (US) 1976-10-12 US disclosed
US-3985796-A Hydroxylation of aromatic compounds UOP INC. (US) 1976-10-12 US disclosed
US-3931295-A Hydroxylation of aromatic compounds UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-01-06 US disclosed