SCHEMBL11764142

SCHEMBL11764142

CCC(O)(c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 2/20 0.49
KCNN4 O15554 3/20 0.47
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
SIGMAR1 Q99720 1/20 0.42
KIF11 P52732 1/20 0.41
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
CHRM2 P08172 1/20 0.40

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
SCHEMBL6935611 0.92 CYP3A4 (0.50) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL936317 0.89 SMN1; SMN2 (0.50) KMT2AMEN1SMN1; SMN2ALDH1A1KCNN4
SCHEMBL246639 0.87 SMN1; SMN2 (0.52) KMT2AMEN1SMN1; SMN2LMNAKCNN4
SCHEMBL28539349 0.85 CHRM2 (0.50) KMT2AMEN1SMN1; SMN2LMNAKCNN4
SCHEMBL10784555 0.84 ESR1 (0.52) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL11623260 0.84 ALDH1A1 (0.56) KMT2AMEN1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL11015940 0.82 L3MBTL1 (0.49) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL10598204 0.82 ESR1 (0.57) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL11764401 0.82 SMN1; SMN2 (0.44) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL5930993 0.82 KMT2A (0.50) KMT2AMEN1SMN1; SMN2LMNAALDH1A1

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-4039589-A LIVER MICROSOMAL ENZYMES RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1977-08-02 US disclosed