SCHEMBL7002528

SCHEMBL7002528

Cc1cc(C)cc(C2C[C@H]2C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.56
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
FFAR4 Q5NUL3 3/20 0.41
TPMT P51580 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
IDO1 P14902 3/20 0.39
HDAC4 P56524 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
SCHEMBL7002531 1.00 FFAR1 (0.56) FFAR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL29302328 0.88 FFAR1 (0.49) FFAR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7868650 0.82 FFAR1 (0.65) FFAR1ALDH1A1LMNAIDO1HDAC4
SCHEMBL10288305 0.82 FFAR1 (0.65) FFAR1ALDH1A1LMNAIDO1HDAC4
SCHEMBL3042239 0.82 FFAR1 (0.65) FFAR1ALDH1A1LMNAIDO1HDAC4
SCHEMBL23116570 0.82 FFAR1 (0.65) FFAR1ALDH1A1LMNAIDO1HDAC4
SCHEMBL21501054 0.82 FFAR1 (0.65) FFAR1ALDH1A1LMNAIDO1HDAC4
SCHEMBL31076307 0.80 FFAR1 (0.49) FFAR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL32677647 0.80 FFAR1 (0.49) FFAR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL19628622 0.80 FFAR1 (0.81) FFAR1ALDH1A1CYP1A2CYP3A4CYP2C9

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-0996621-B1 TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS ANTI-THROMBOTIC AGENTS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed
US-6251910-B1 1,2,3-triazolo[4,5-d]pyrimidines as P2T receptor antagonists ASTRAZENECA UK LIMITED (GB) 2001-06-26 US disclosed