SCHEMBL8922960

SCHEMBL8922960

O=C(O)C=C[C@H]1CC[C@H](C=CC(=O)O)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
TP53 P04637 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
EGLN3 Q9H6Z9 1/20 0.44
POLB P06746 1/20 0.41
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC2 Q92769 1/20 0.35
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35

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
SCHEMBL6678007 1.00
SCHEMBL821436 1.00
SCHEMBL892513 1.00 TSHR (0.44) TSHRTP53EGLN1EGLN3POLB
SCHEMBL892514 1.00 TSHR (0.44) TSHRTP53EGLN1EGLN3POLB
SCHEMBL1398495 1.00
SCHEMBL19975304 0.97
SCHEMBL16989792 0.97
SCHEMBL21515073 0.90 TSHR (0.36) TSHRTP53EGLN1EGLN3POLB
SCHEMBL11845204 0.90 TSHR (0.36) TSHRTP53EGLN1EGLN3POLB
SCHEMBL2200503 0.90 TSHR (0.36) TSHRTP53EGLN1EGLN3POLB

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-5670493-A ANGIOGENESIS INHIBITORS ADIR ET COMPAGNIE (FR) 1997-09-23 US disclosed