SCHEMBL7711675

SCHEMBL7711675

CC(C)C1(c2ccccc2)C(C#N)C(=O)NC(=O)C1C#N

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
LMNA P02545 3/20 0.34
HPGD P15428 3/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MAPT P10636 5/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PIM1 P11309 1/20 0.31

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
SCHEMBL7708669 0.88 ALDH1A1 (0.33) ALDH1A1LMNAHPGDGAATSHR
SCHEMBL7711516 0.78 MMP2 (0.39) ALDH1A1LMNAHPGDGAATSHR
SCHEMBL7712019 0.78 ALDH1A1 (0.38) ALDH1A1LMNAHPGDGAATSHR
SCHEMBL7712022 0.74 LMNA (0.34) ALDH1A1LMNAHPGDGAATSHR
SCHEMBL7713916 0.74 LMNA (0.40) ALDH1A1LMNAHPGDGAATSHR
SCHEMBL7708682 0.72 MMP2 (0.36) ALDH1A1LMNAHPGDGAATSHR
SCHEMBL7711500 0.71 LMNA (0.37) ALDH1A1LMNAHPGDGAATSHR
SCHEMBL7711689 0.71 ALDH1A1 (0.37) ALDH1A1LMNAHPGDGAATSHR
SCHEMBL745367 0.71 KDM4E (0.37) ALDH1A1LMNAHPGDGAATSHR
SCHEMBL7711670 0.71 LMNA (0.35) ALDH1A1LMNAHPGDGAATSHR

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-6365311-B1 THERMAL STABILITY; LOW COLOR; ABSENCE OF ENVIRONMENTALLY UNDESIRABLE TOXIC METALS; POLYETHERIFIED BISPHENOL A FUMARATE BINDER; POLYSILOXANE COATED STRONTIUM FERRITE CARRIER EASTMAN KODAK COMPANY 2002-04-02 US disclosed