SCHEMBL7337

SCHEMBL7337

CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4CCC(=O)NCCc4ccccc4)cc3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
KCNA3 P22001 1/20 0.42
POLB P06746 3/20 0.42
CYP2C9 P11712 2/20 0.42
ABCC3 O15438 1/20 0.42
ABCC4 O15439 1/20 0.42
ABCB11 O95342 1/20 0.42
CYP2C8 P10632 1/20 0.42

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
SCHEMBL6650 0.92 KCNA3 (0.43) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL7377 0.92 LMNA (0.44) MAPTKCNA3CYP2C9ABCC3ABCC4
SCHEMBL6315 0.91 KCNA3 (0.43) MAPTKCNA3POLBCYP2C9ABCC3
SCHEMBL6287 0.90 CYP2C9 (0.49) MAPTPOLBCYP2C9ABCC3ABCC4
SCHEMBL6804 0.87 OPRM1 (0.47) MAPTCYP2C9ABCC3ABCC4ABCB11
SCHEMBL2112 0.87 KCNA3 (0.44) KCNA3CYP2C9ABCC3ABCC4ABCB11
SCHEMBL18597761 0.86 ABCC3 (0.41) CYP2C9ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6459 0.85 TSHR (0.47) MAPTKCNA3CYP2C9ABCC3ABCC4
SCHEMBL1341 0.85 ABCC3 (0.43) KCNA3CYP2C9ABCC3ABCC4ABCB11
SCHEMBL6318 0.85 ABCC3 (0.43) KCNA3CYP2C9ABCC3ABCC4ABCB11

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-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed