SCHEMBL11277396

SCHEMBL11277396

COC(=O)C(c1ccc(NC(C)=O)cc1)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.55
SLC6A3 Q01959 3/20 0.51
NAMPT P43490 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
TSHR P16473 2/20 0.46
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR1E P28566 1/20 0.44
S1PR3 Q99500 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 1/20 0.43
BRD4 O60885 1/20 0.43
NR1I2 O75469 1/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL9644018 0.80 SLC6A3 (0.62) SLC6A3SLC6A2SLC6A4
SCHEMBL17145458 0.80 SLC6A3 (0.55) SLC6A3SLC6A2SLC6A4
SCHEMBL11274171 0.80 SLC6A3 (0.62) SLC6A3SLC6A2SLC6A4
SCHEMBL28628509 0.79 SLC6A3 (0.60) SLC6A3SLC6A2SLC6A4TSHRHTR1E
SCHEMBL11266568 0.78 SLC6A3 (0.64) SLC6A3SLC6A2SLC6A4ALDH1A1CA1
SCHEMBL1447652 0.76 SMN1; SMN2 (0.56) DHODHSMN1; SMN2TSHRHTTL3MBTL1
SCHEMBL4247382 0.75 SLC6A3 (0.65) SLC6A3SLC6A2SLC6A4
SCHEMBL9154015 0.75 SLC6A3 (0.65) SLC6A3SLC6A2SLC6A4HTR1ES1PR3
SCHEMBL20485139 0.74 SMN1; SMN2 (0.55) DHODHSMN1; SMN2TSHRHTTL3MBTL1
SCHEMBL3554782 0.74 SLC6A3 (0.72) SLC6A3SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4337264-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND FUNGICIDES CIBA-GEIGY CORPORATION (US) 1982-06-29 US disclosed
US-4316850-A ANTINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1982-02-23 US disclosed
US-4264619-A Tertiary aminoacids CIBA-GEIGY CORPORATION (US) 1981-04-28 US disclosed
US-4163788-A ANTIINFLAMMATORY CIBA-GEIGY CORPORATION (US) 1979-08-07 US disclosed
US-4126691-A ANTIINFLAMMATORY CIBA-GEIGY CORPORATION (US) 1978-11-21 US disclosed
US-3997669-A ANTIINFLAMMATORY CIBA-GEIGY CORPORATION (US) 1976-12-14 US disclosed