SCHEMBL10858751

SCHEMBL10858751

CC(C)CC(NC(=O)O)C(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 2/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
PKM P14618 1/20 0.51
CCR1 P32246 2/20 0.50
LMNA P02545 2/20 0.50
FAAH O00519 1/20 0.50
CACNA1B Q00975 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
SCHEMBL10858747 1.00 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KMT2AMEN1CYP3A4
SCHEMBL10857639 0.87 POLB (0.61) ALDH1A1HTTPKMLMNAFAAH
SCHEMBL10857630 0.87 POLB (0.61) ALDH1A1HTTPKMLMNAFAAH
SCHEMBL10859034 0.84 CAPN1 (0.56) ALDH1A1SMN1; SMN2KMT2AMEN1CYP3A4
SCHEMBL10858984 0.84 CAPN1 (0.56) ALDH1A1SMN1; SMN2KMT2AMEN1CYP3A4
SCHEMBL10859075 0.84 CAPN1 (0.56) ALDH1A1SMN1; SMN2KMT2AMEN1CYP3A4
SCHEMBL1623416 0.82 KMT2A (0.66) ALDH1A1SMN1; SMN2KMT2AMEN1HTT
SCHEMBL1623417 0.82 KMT2A (0.66) ALDH1A1SMN1; SMN2KMT2AMEN1HTT
SCHEMBL14705776 0.81 LMNA (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1CYP3A4
SCHEMBL10856911 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1CYP3A4

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-4596803-A Treating myocardial infarction NIPPON CHEMIPHAR CO., LTD. (JP) 1986-06-24 US disclosed
US-4507297-A MYOCARDIAL INFARCTION NIPPON CHEMIPHAR CO., LTD. (JP) 1985-03-26 US disclosed