SCHEMBL8577809

SCHEMBL8577809

COc1cccc(C(C)C)c1[O]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.47
HDAC4 P56524 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
ACHE P22303 2/20 0.43
CA12 O43570 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA4 P22748 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL199413 0.82 GABRA1 (0.57) CA1CA2CYP1A2CYP3A4KMT2A
SCHEMBL141647 0.80 CA1 (0.60) LPAR1HDAC4HDAC8KCNK3KCNK9
SCHEMBL31257131 0.80 CA1 (0.60) LPAR1HDAC4HDAC8KCNK3KCNK9
SCHEMBL714182 0.79 CA1 (0.58) HDAC4HDAC8CA1CA2CA12
Ammonia Solution, Strong SCHEMBL28077841 0.78 CA1 (0.57) LPAR1HDAC4HDAC8KCNK3KCNK9
SCHEMBL714204 0.78 CA1 (0.50) HDAC4HDAC8CA1CA2CA12
SCHEMBL2737350 0.77 LPAR1 (0.45) LPAR1HDAC4HDAC8KCNK3KCNK9
SCHEMBL683593 0.77 NFE2L2 (0.47) LPAR1HDAC4HDAC8KCNK3KCNK9
SCHEMBL7816151 0.77 KDM4E (0.47) LPAR1HDAC4HDAC8KCNK3KCNK9
SCHEMBL13913509 0.75 KCNK3 (0.46) LPAR1HDAC4HDAC8KCNK3KCNK9

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-5798362-A USEFUL AS ALPHA-ADRENORECEPTOR BLOCKERS; CONDENSATION RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1998-08-25 US claimed