SCHEMBL13005665

SCHEMBL13005665

CC(C)Cc1cccc(-c2cccc(C(=O)N[C@@H](Cc3ccccc3)CN(C)C)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.51
MMEL1 Q495T6 1/20 0.51
HDAC4 P56524 4/20 0.49
HDAC6 Q9UBN7 4/20 0.49
HPGDS O60760 1/20 0.49
CTRB1 P17538 1/20 0.47
ALDH1A1 P00352 1/20 0.47
UTS2R Q9UKP6 6/20 0.46
HDAC1 Q13547 1/20 0.45
CTSL P07711 3/20 0.45
CTSS P25774 2/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
CTSV O60911 1/20 0.43
CFD P00746 1/20 0.43

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
SCHEMBL13005491 0.93 CTRB1 (0.51) MMEMMEL1HDAC4HDAC6CTRB1
SCHEMBL13005579 0.90 KMT2A (0.47) MMEMMEL1HPGDSCTRB1UTS2R
SCHEMBL13005436 0.90 HDAC4 (0.45) MMEMMEL1HDAC4HPGDSALDH1A1
SCHEMBL13060697 0.90 MME (0.52) MMEMMEL1HDAC4HDAC6HPGDS
SCHEMBL13005434 0.90 HDAC4 (0.45) MMEMMEL1HDAC4HPGDSALDH1A1
SCHEMBL13005497 0.87 F2 (0.41) MMEMMEL1HDAC4HDAC6HPGDS
SCHEMBL13005455 0.86 HPGDS (0.45) HPGDSALDH1A1UTS2RCTSLCTSS
SCHEMBL13005431 0.84 HPGDS (0.43) HDAC4HPGDSALDH1A1UTS2RCTSL
SCHEMBL13005424 0.84 HPGDS (0.43) HDAC4HPGDSALDH1A1UTS2RCTSL
SCHEMBL13005584 0.83 KMT2A (0.51) HDAC4HDAC6CTRB1ALDH1A1

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
US-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed
US-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed