SCHEMBL4414022

SCHEMBL4414022

Cc1ccc([CH]C(=O)c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.68
ALDH1A1 P00352 6/20 0.68
HPGD P15428 3/20 0.68
CYP3A4 P08684 1/20 0.68
CYP1B1 Q16678 1/20 0.58
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
NPSR1 Q6W5P4 4/20 0.53
RAB9A P51151 4/20 0.53
MEN1 O00255 3/20 0.53
LMNA P02545 3/20 0.53
KMT2A Q03164 3/20 0.53
NPC1 O15118 3/20 0.53
POLB P06746 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
HTT P42858 3/20 0.52
PKM P14618 2/20 0.52
ATM Q13315 2/20 0.52

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
SCHEMBL893710 0.85 CYP1B1 (0.61) MAPTALDH1A1HPGDCYP3A4CYP1B1
SCHEMBL5753797 0.81 MAPT (1.00) MAPTALDH1A1HPGDCYP3A4CYP1B1
SCHEMBL6200952 0.81 MAPT (1.00) MAPTALDH1A1HPGDCYP3A4CYP1B1
SCHEMBL76030 0.81 MAPT (1.00) MAPTALDH1A1HPGDCYP3A4CYP1B1
SCHEMBL7448677 0.80 TNFRSF1A (0.53) MAPTALDH1A1HPGDCYP3A4CYP1B1
SCHEMBL15112053 0.79 SMN1; SMN2 (0.54) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL27977352 0.77 MAPT (0.90) MAPTALDH1A1HPGDCYP3A4CYP1B1
SCHEMBL31353024 0.77 MAPT (0.78) MAPTALDH1A1HPGDCYP3A4CYP1B1
SCHEMBL3954268 0.76 CYP2A6 (0.50) MAPTALDH1A1HPGDCYP3A4CYP1B1
(E)-1,2-Di-P-Tolylethene SCHEMBL18050340 0.76 MAPT (0.68) MAPTALDH1A1HPGDCYP3A4CYP1B1

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-20090131589-A1 CONTROLLED MOLECULAR WEIGHT AMINO ACID POLYMERS HAVING FUNCTIONALIZABLE BACKBONES AND END GROUPS AND PROCESSES FOR PREPARING THE SAME UNIVERSITY OF ALABAMA IN HUNTSVILLE 2009-05-21 US claimed
US-20090131589-A1 CONTROLLED MOLECULAR WEIGHT AMINO ACID POLYMERS HAVING FUNCTIONALIZABLE BACKBONES AND END GROUPS AND PROCESSES FOR PREPARING THE SAME UNIVERSITY OF ALABAMA IN HUNTSVILLE 2009-05-21 US disclosed
WO-2009058291-A2 CONTROLLED MOLECULAR WEIGHT AMINO ACID POLYMERS HAVING FUNCTIONALIZABLE BACKBONES AND END GROUPS AND PROCESSES FOR PREPARING THE SAME UNIVERSITY OF ALABAMA IN HUNTSVILLE (US) 2009-05-07 WO disclosed