SCHEMBL9499665

SCHEMBL9499665

CCOc1ccc(C[C@@H](N)[C]=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.48
ACACB O00763 13/20 0.48
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL9630902 1.00 NQO1 (0.48) NQO1ACACBTSHRTDP1
SCHEMBL9630894 1.00 NQO1 (0.48) NQO1ACACBTSHRTDP1
SCHEMBL7279453 0.83 NR5A1 (0.49) ACACBTSHR
SCHEMBL2265781 0.82 SLC6A4 (0.61) ACACB
SCHEMBL7294911 0.82 SLC6A4 (0.61) ACACB
SCHEMBL2265778 0.82 SLC6A4 (0.61) ACACB
SCHEMBL9503514 0.80 CA2 (0.41) ACACBTSHRTDP1
SCHEMBL6285380 0.79 LTA4H (0.61)
SCHEMBL10438270 0.79 FFAR1 (0.49) TSHR
SCHEMBL6285385 0.79 LTA4H (0.61)

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-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 US claimed
EP-0538367-A1 DERIVATIVES OF PITUITARY POSTERIOR LOBE HORMONES Ferring AB (SE) 1993-04-28 EP disclosed
WO-1992000996-A1 DERIVATIVES OF PITUITARY POSTERIOR LOBE HORMONES FERRING AB (SE) 1992-01-23 WO disclosed