SCHEMBL7981718

SCHEMBL7981718

CC(C(=O)O)C(O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ FFAR2 O15552 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ ADRB2 P07550 1/20 0.43
▸ CYP2C19 P33261 4/20 0.42
▸ CYP2C9 P11712 4/20 0.42
▸ CYP2D6 P10635 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ GABBR2 O75899 3/20 0.41
▸ GABBR1 Q9UBS5 3/20 0.41
▸ TSHR P16473 3/20 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
SCHEMBL3741608 1.00 POLB (0.46) POLBBRD4FFAR2SLC6A2SLC6A4
SCHEMBL14049274 0.85 BRD4 (0.43) POLBBRD4FFAR2SLC6A2SLC6A4
SCHEMBL17451234 0.82 POLB (0.47) POLBBRD4FFAR2ADRB2CYP2C19
SCHEMBL8001841 0.81 LMNA (0.56) POLBCYP2C19CYP2C9CYP2D6MEN1
SCHEMBL17702817 0.81 LMNA (0.56) POLBCYP2C19CYP2C9CYP2D6MEN1
SCHEMBL12313665 0.81 LMNA (0.56) POLBCYP2C19CYP2C9CYP2D6MEN1
SCHEMBL8209874 0.81 LMNA (0.56) POLBCYP2C19CYP2C9CYP2D6MEN1
SCHEMBL8001842 0.81 LMNA (0.56) POLBCYP2C19CYP2C9CYP2D6MEN1
SCHEMBL12265956 0.81 LMNA (0.56) POLBCYP2C19CYP2C9CYP2D6MEN1
SCHEMBL16967416 0.78 ADRB2 (0.52) POLBBRD4FFAR2ADRB2CYP2C19

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-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 — — US disclosed
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