SCHEMBL7453288

SCHEMBL7453288

CCC1CC(=O)NC1C(=O)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CREBBP Q92793 4/20 0.38
BRD4 O60885 3/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
ALDH1A1 P00352 3/20 0.36
ELANE P08246 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7453292 0.81 CREBBP (0.46) TP53TSHRCREBBPBRD4ALDH1A1
SCHEMBL7512566 0.76 KMT2A (0.43) ALDH1A1GAARAB9A
SCHEMBL9745679 0.76 KMT2A (0.43) ALDH1A1GAARAB9A
SCHEMBL7449138 0.76 KMT2A (0.43) ALDH1A1GAARAB9A
SCHEMBL7326324 0.75 ITGB1 (0.42) NPSR1CREBBPBRD4ALDH1A1
SCHEMBL7326331 0.75 ITGB1 (0.42) NPSR1CREBBPBRD4ALDH1A1
SCHEMBL21121174 0.68 LMNA (0.49) NPSR1CREBBPBRD4GAASMN1; SMN2
SCHEMBL21121173 0.68 LMNA (0.49) NPSR1CREBBPBRD4GAASMN1; SMN2
SCHEMBL6768435 0.67 NPSR1 (0.57) TSHRNPSR1ALDH1A1GAASMN1; SMN2
SCHEMBL22559986 0.66 CTSD (0.44) CREBBPBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140821-A1 LACTAMS ISIS INNOVATION LIMITED (GB) 2001-10-10 EP disclosed
WO-2000035871-A1 LACTAMS ISIS INNOVATION LIMITED (GB) 2000-06-22 WO disclosed