SCHEMBL11333136

SCHEMBL11333136

O=C(O)CCC(=O)Nc1nnc([CH]S)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.56
CA1 P00915 6/20 0.55
CA2 P00918 6/20 0.55
CA9 Q16790 6/20 0.55
CA12 O43570 4/20 0.55
CA3 P07451 4/20 0.55
CA4 P22748 4/20 0.55
CA6 P23280 4/20 0.55
CA5A P35218 4/20 0.55
CA7 P43166 4/20 0.55
CA13 Q8N1Q1 4/20 0.55
CA14 Q9ULX7 4/20 0.55
CA5B Q9Y2D0 4/20 0.55
ALDH1A1 P00352 3/20 0.55
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL8626453 0.79 POLB (0.60) POLBCA1CA2CA9CA12
SCHEMBL10639077 0.76 POLB (0.60) POLBCA1CA2CA9CA12
SCHEMBL13010634 0.76 ALDH1A1 (0.69) POLBCA1CA2CA9CA12
SCHEMBL19370500 0.72 CA1 (0.58) POLBCA1CA2CA9CA12
SCHEMBL11333145 0.72 ALDH1A1 (0.67) POLBCA1CA2CA9CA12
SCHEMBL11333140 0.72 POLB (0.56) POLBCA1CA2CA9CA12
SCHEMBL16975090 0.71 CA2 (1.00) CA1CA2CA9CA12CA3
SCHEMBL8630772 0.66 POLB (0.49) POLBCA1CA2CA9CA12
SCHEMBL11148031 0.66 POLB (0.66) POLBALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL13010633 0.65 ATAD2 (0.56) POLBCA1CA2CA9CA12

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-4265892-A Cephalosporins having an α-acylaminoacetic acid side chain CIBA-GEIGY CORPORATION (US) 1981-05-05 US disclosed
US-4154831-A Cephalosporins having an α-acylaminoacetic acid side chain CIBA-GEIGY CORPORATION (US) 1979-05-15 US disclosed
US-4041161-A ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1977-08-09 US disclosed