SCHEMBL24934740

SCHEMBL24934740

CC(C)C(=O)c1ccc(CNC(=O)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.76
SMN1; SMN2 Q16637 3/20 0.76
MEN1 O00255 2/20 0.76
KMT2A Q03164 2/20 0.76
NPC1 O15118 3/20 0.70
ALDH1A1 P00352 3/20 0.70
EPHX2 P34913 5/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
HDAC1 Q13547 3/20 0.51
HDAC6 Q9UBN7 3/20 0.50
HPGD P15428 1/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
NR1H4 Q96RI1 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC8 Q9BY41 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
SCHEMBL10099559 0.85 SMN1; SMN2 (0.76) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL18232439 0.85 RAB9A (0.76) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL18769014 0.85 RAB9A (0.55) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL104476 0.85 SMN1; SMN2 (0.76) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL10099556 0.84 RAB9A (0.75) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL104431 0.84 RAB9A (0.75) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5049348 0.82 RAB9A (0.72) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL23903366 0.82 RAB9A (1.00) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL18232443 0.82 SMN1; SMN2 (0.71) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL15982295 0.80 CA2 (0.78) RAB9ASMN1; SMN2MEN1KMT2ANPC1

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
EP-4119546-A1 BIFUNCTIONAL COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF Suzhou Kintor Pharmaceuticals, Inc. (CN) 2023-01-18 EP disclosed