SCHEMBL11511463

SCHEMBL11511463

CCCCC1(C)C(=O)N(CC2CO2)C(=O)N1CC1CO1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
HBB P68871 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL11535278 0.96 TP53 (0.34) TP53HBBSMN1; SMN2ALDH1A1
SCHEMBL10953750 0.95 ALDH1A1 (0.36) TP53HBBSMN1; SMN2ALDH1A1
SCHEMBL11412381 0.95 ALDH1A1 (0.36) TP53HBBSMN1; SMN2ALDH1A1
SCHEMBL10953761 0.95 ALDH1A1 (0.36) TP53HBBSMN1; SMN2ALDH1A1
SCHEMBL687421 0.85 TP53 (0.39) TP53HBBSMN1; SMN2OPRM1OPRK1
SCHEMBL11622712 0.82 TP53 (0.34) TP53HBBSMN1; SMN2
SCHEMBL11421576 0.80 ALDH1A1 (0.37) TP53HBBSMN1; SMN2ALDH1A1
SCHEMBL11412044 0.80 ALDH1A1 (0.37) TP53HBBSMN1; SMN2ALDH1A1
Urea SCHEMBL28327676 0.80 TP53 (0.34) TP53HBBSMN1; SMN2OPRM1OPRK1
SCHEMBL11085399 0.79 TP53 (0.36) TP53HBBSMN1; SMN2OPRM1OPRK1

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-0005771-A1 Process for improving the performance of a marine antifouling paint, and top coat composition employed in this process CIBA-GEIGY AG (CH) 1979-12-12 EP disclosed
US-4177302-A DIGLYCIDYL ETHER OF HYDANTOIN COMPOUND, POLYAMIDOAMINE, CURING CIBA-GEIGY CORPORATION (US) 1979-12-04 US disclosed