SCHEMBL29048779

SCHEMBL29048779

CCc1cc(N(C)C)ccc1C(=O)O.CN(C)c1ccc(C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
NPC1 O15118 3/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.46
MAPT P10636 4/20 0.46
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
RXRA P19793 3/20 0.43
RXRB P28702 1/20 0.41
SLC16A3 O15427 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL7601521 0.92 SLC16A3 (0.46) MEN1KMT2ANPC1POLBALDH1A1
SCHEMBL41899 0.92 SLC16A3 (0.46) MEN1KMT2ANPC1POLBALDH1A1
Ammonia Solution, Strong SCHEMBL4440047 0.90 SLC16A3 (0.45) MEN1KMT2ANPC1POLBALDH1A1
SCHEMBL18315413 0.88 HPGD (0.64) MEN1KMT2ANPC1POLBALDH1A1
SCHEMBL29808319 0.86 ALDH1A1 (0.53) MEN1KMT2ANPC1ALDH1A1HPGD
SCHEMBL30617328 0.84 TSHR (0.55) MEN1KMT2ANPC1POLBALDH1A1
Monoethanolamine SCHEMBL9339507 0.83 SLC16A3 (0.40) MEN1KMT2ANPC1POLBALDH1A1
SCHEMBL31406942 0.82 KMT2A (0.47) MEN1KMT2ANPC1ALDH1A1HPGD
SCHEMBL9249843 0.82 SLC16A3 (0.40) MEN1KMT2ANPC1POLBALDH1A1
SCHEMBL277909 0.81 ALDH1A1 (0.54) MEN1KMT2ANPC1POLBALDH1A1

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
CN-116406318-A Putty coating compositions 日涂工业涂料有限公司 2023-07-07 CN disclosed