SCHEMBL7874907

SCHEMBL7874907

O=C(Cc1ccccc1)C1CCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.51
ALDH1A1 P00352 1/20 0.46
EPHX2 P34913 2/20 0.45
FAAH O00519 1/20 0.44
MAPT P10636 1/20 0.43
KCNQ2 O43526 1/20 0.42
ATM Q13315 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
AKR1B1 P15121 1/20 0.41

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
SCHEMBL11235764 0.88 PIN1 (0.47) PIN1ALDH1A1MAPT
SCHEMBL11131384 0.82 PIN1 (0.53) PIN1ALDH1A1EPHX2KCNQ2
SCHEMBL11666042 0.81 PIN1 (0.51) PIN1EPHX2KCNQ2
SCHEMBL21144646 0.80 PIN1 (0.54) PIN1ALDH1A1KCNQ2
SCHEMBL11305795 0.80 PIN1 (0.54) PIN1ALDH1A1KCNQ2
SCHEMBL9540395 0.80 PIN1 (0.54) PIN1ALDH1A1KCNQ2
SCHEMBL30191225 0.80 PIN1 (0.54) PIN1ALDH1A1KCNQ2
SCHEMBL12431131 0.79 PIN1 (0.60) PIN1KCNQ2
SCHEMBL907688 0.79 PIN1 (0.60) PIN1KCNQ2
SCHEMBL2790690 0.79 PIN1 (0.60) PIN1KCNQ2

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-6315928-B1 FOR OPHTHALMIC LENSES OPTISCHE WERKE G. RODENSTOCK (DE) 2001-11-13 US disclosed