SCHEMBL8717722

SCHEMBL8717722

CCC(C)(C)C(=O)Nc1ccccc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.57
POLB P06746 2/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 4/20 0.54
SOAT1 P35610 2/20 0.54
KCNQ2 O43526 1/20 0.54
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 6/20 0.50
HTT P42858 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
RIPK1 Q13546 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL14447514 0.85 TACR1 (0.64) TACR1POLBLMNAMAPTSOAT1
SCHEMBL12863534 0.79 POLB (0.56) POLBLMNAHDAC1HDAC7HDAC8
SCHEMBL10027976 0.79 LMNA (0.59) POLBLMNAMAPTALDH1A1HTT
SCHEMBL19422611 0.78 POLB (0.57) POLBLMNAALDH1A1HTTL3MBTL1
SCHEMBL12963094 0.78 LMNA (0.57) POLBLMNAHDAC1HDAC7HDAC8
SCHEMBL12863539 0.78 S1PR4 (0.54) HDAC1HDAC7HDAC8HDAC6SMN1; SMN2
SCHEMBL7207413 0.78 LMNA (0.61) POLBLMNAALDH1A1HTTL3MBTL1
SCHEMBL19501566 0.77 LMNA (0.54) POLBLMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL27529524 0.77 PDK1 (0.66) TACR1HDAC1HDAC7HDAC8HDAC6
SCHEMBL6206191 0.77 ALDH1A1 (0.69) LMNAMAPTSOAT1KCNQ2SMN1; SMN2

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-5827869-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB COMPANY (US) 1998-10-27 US disclosed