SCHEMBL8935734

SCHEMBL8935734

C[C@H](Oc1ccccc1Cl)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
HPGD P15428 4/20 0.59
MEN1 O00255 2/20 0.59
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TSHR P16473 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
CYP1A2 P05177 1/20 0.51
GAA P10253 1/20 0.51
CYP2C9 P11712 1/20 0.51
PKM P14618 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 1/20 0.51
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.44
LMNA P02545 1/20 0.44
PTGDR Q13258 1/20 0.44

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
SCHEMBL503699 1.00 KMT2A (0.66) KMT2AHPGDMEN1ALDH1A1SMN1; SMN2
SCHEMBL1576594 0.87 KMT2A (0.59) KMT2AHPGDMEN1ALDH1A1SMN1; SMN2
SCHEMBL1019372 0.87 KMT2A (0.59) KMT2AHPGDMEN1ALDH1A1SMN1; SMN2
SCHEMBL27635762 0.85 KMT2A (0.66) KMT2AHPGDMEN1ALDH1A1SMN1; SMN2
SCHEMBL5825558 0.85 KMT2A (0.59) KMT2AHPGDMEN1ALDH1A1SMN1; SMN2
SCHEMBL6739130 0.84 KMT2A (0.56) KMT2AHPGDMEN1ALDH1A1SMN1; SMN2
SCHEMBL31069147 0.84 KMT2A (0.56) KMT2AHPGDMEN1ALDH1A1SMN1; SMN2
SCHEMBL11191750 0.84 CYP1A2 (0.59) KMT2AHPGDMEN1TSHRHTR2A
SCHEMBL28383597 0.84 KMT2A (0.59) KMT2AHPGDMEN1ALDH1A1SMN1; SMN2
SCHEMBL16244235 0.84 KMT2A (0.57) KMT2AHPGDMEN1ALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed
US-5010060-A Method of treating herpes simplex viral infection employing pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 1991-04-23 US disclosed
US-4851519-A AMIDO NUCLEOSIDES, VIRICIDES HOFFMANN-LA ROCHE INC. (US) 1989-07-25 US disclosed