SCHEMBL7530494

SCHEMBL7530494

C=CCCC(c1ccccc1O)(c1ccccc1O)C(CC=C)(CC=C)CC=C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 1/20 0.35
HTT P42858 1/20 0.32
MAPT P10636 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
SCHEMBL677566 0.73 ALDH1A1 (0.45) ACHEALDH1A1TSHRTDP1HSP90AA1
SCHEMBL13656366 0.72 ALDH1A1 (0.43) ACHEALDH1A1TSHRTDP1HSP90AA1
SCHEMBL5690395 0.70 ALDH1A1 (0.42) ACHEALDH1A1TSHRTDP1HSP90AA1
SCHEMBL11437771 0.70 ALDH1A1 (0.52) ACHEALDH1A1TSHRTDP1HSP90AA1
SCHEMBL11487730 0.70 ALDH1A1 (0.42) ACHEALDH1A1TSHRTDP1HSP90AA1
SCHEMBL9286623 0.68 ALDH1A1 (0.47) ACHEALDH1A1TSHRTDP1HSP90AA1
SCHEMBL11778379 0.68 ALDH1A1 (0.39) ACHEALDH1A1TSHRTDP1HSP90AA1
SCHEMBL1035976 0.68 ALDH1A1 (0.47) ACHEALDH1A1TSHRTDP1HSP90AA1
SCHEMBL8623063 0.67
SCHEMBL11883896 0.65 ALDH1A1 (0.36) ACHEALDH1A1TSHRTDP1HSP90AA1

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
EP-1185574-A2 POLY(MERCAPTOPROPYLARYL) CURATIVES Lord Corporation (US) 2002-03-13 EP disclosed
US-6313257-B1 Poly (mercaptopropylaryl) curatives LORD CORPORATION 2001-11-06 US disclosed
WO-2001000698-A2 POLY(MERCAPTOPROPYLARYL) CURATIVES LORD CORPORATION (US) 2001-01-04 WO disclosed