SCHEMBL11859577

SCHEMBL11859577

CCC(C)(C)OOC(C)OC(C)OOC(C)(C)CC

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL7965898 0.75 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL29562215 0.73 ALDH1A1 (0.36) ALDH1A1TSHRTDP1
SCHEMBL1230225 0.72 ALDH1A1 (0.39) ALDH1A1TSHRTDP1
SCHEMBL22437 0.71 TSHR (0.56) ALDH1A1TSHRTDP1
SCHEMBL29164108 0.71 LMNA (0.38) ALDH1A1
SCHEMBL9354538 0.70 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
SCHEMBL30308357 0.69 ALDH1A1 (0.32) ALDH1A1TSHRTDP1
SCHEMBL7643288 0.69 TSHR (0.33) TSHR
SCHEMBL22126693 0.69 MAPK1 (0.32) ALDH1A1TSHRTDP1
SCHEMBL23292691 0.68 ALDH1A1 (0.36) ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3956398-A CROSSLINKING AGENT HERCULES INCORPORATED (US) 1976-05-11 US disclosed