SCHEMBL17673232

SCHEMBL17673232

CC(C)CC(=O)Oc1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.41
GRM4 Q14833 1/20 0.41
F2R P25116 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
HTR7 P34969 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL16756208 0.87 ALOX15 (0.59) ALOX15MEN1KMT2AHPGDHTT
SCHEMBL1343624 0.81 ELANE (0.46) ALOX15MEN1KMT2ASMN1; SMN2GAA
SCHEMBL31621484 0.81 ELANE (0.46) ALOX15MEN1KMT2ASMN1; SMN2GAA
SCHEMBL27683008 0.81 CYP2C9 (0.36) MEN1KMT2ASMN1; SMN2GAAATM
SCHEMBL15548138 0.80 ALOX15 (0.53) ALOX15MEN1KMT2AHPGDHTT
SCHEMBL21598307 0.80 TDP1 (0.54) ALOX15ATMHPGDHTTKDM4E
SCHEMBL7739136 0.80 ALOX15 (0.49) ALOX15KMT2AGAAHPGDHTT
SCHEMBL4084650 0.80 MAPT (0.54) ALOX15MEN1KMT2ASMN1; SMN2ATM
SCHEMBL15548518 0.80 ALOX15 (0.53) ALOX15MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL15547573 0.79 ALOX15 (0.51) ALOX15MEN1KMT2AHPGDHTT

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-3204360-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2017-08-16 EP disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO disclosed