SCHEMBL7450302

SCHEMBL7450302

CC(C)(Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
NR4A2 P43354 1/20 0.55
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
POLB P06746 2/20 0.55
CASP3 P42574 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53

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
SCHEMBL7371882 0.82 MAPT (0.53) L3MBTL1RAB9ANPC1HDAC1KDM4E
SCHEMBL7369711 0.79 MAPT (0.62) L3MBTL1NR4A2RAB9ANPC1KDM4E
Hydrochloric Acid SCHEMBL7368528 0.78 MAPT (0.60) L3MBTL1NR4A2RAB9ANPC1KDM4E
SCHEMBL7371339 0.77 KDM4E (0.47) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL5327317 0.77 KDM4E (0.60) NR4A2RAB9ANPC1KDM4EMEN1
SCHEMBL2269443 0.76 HDAC3 (0.63) NR4A2RAB9ANPC1HDAC3HDAC1
SCHEMBL2654572 0.75 NR4A2 (0.56) L3MBTL1NR4A2RXRARXRBRAB9A
SCHEMBL7296687 0.75 RAB9A (0.78) NR4A2RXRARXRBRAB9ANPC1
SCHEMBL5178206 0.75 RAB9A (0.69) NR4A2RAB9ANPC1POLBCASP3
SCHEMBL7365193 0.74 KDM4E (0.42) KDM4EMEN1MAPTKMT2A

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
WO-2000006535-A1 TYROSINE-DERIVED COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-02-10 WO disclosed