SCHEMBL7868639

SCHEMBL7868639

O=C(O)[C@@H]1C[C@H]1c1ccc(-c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.68
KDM1A O60341 3/20 0.55
MAOB P27338 1/20 0.55
HDAC4 P56524 1/20 0.53
ALDH1A1 P00352 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
NR4A2 P43354 2/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC9A1 P19634 1/20 0.49
FFAR4 Q5NUL3 1/20 0.48
GPR88 Q9GZN0 1/20 0.48

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
SCHEMBL6994406 1.00 FFAR1 (0.68) FFAR1KDM1AMAOBHDAC4ALDH1A1
SCHEMBL323824 0.88 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1
SCHEMBL5217474 0.88 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1
SCHEMBL1172743 0.88 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1
SCHEMBL2034678 0.88 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1
SCHEMBL4126470 0.88 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1
SCHEMBL5315326 0.88 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1
SCHEMBL8295172 0.88 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1
SCHEMBL323823 0.88 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1
SCHEMBL3359435 0.88 FFAR1 (0.70) FFAR1HDAC4ALDH1A1SLC9A1

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-6251910-B1 1,2,3-triazolo[4,5-d]pyrimidines as P2T receptor antagonists ASTRAZENECA UK LIMITED (GB) 2001-06-26 US disclosed