SCHEMBL8001145

SCHEMBL8001145

N[C@@H](Cc1ccccc1)C(O)C(=O)NC1CCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
LAP3 P28838 2/20 0.53
ANPEP P15144 1/20 0.53
RNPEP Q9H4A4 1/20 0.53
DNPEP Q9ULA0 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.49
EPHX2 P34913 2/20 0.49
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HPGD P15428 2/20 0.46
EPHX1 P07099 1/20 0.46
KDM4E B2RXH2 1/20 0.46
METAP2 P50579 2/20 0.45
METAP1 P53582 1/20 0.45
LTA4H P09960 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
Hydrochloric Acid SCHEMBL4394524 0.99 TDP1 (0.53) TDP1LAP3ANPEPRNPEPDNPEP
SCHEMBL8001760 0.97 TDP1 (0.57) TDP1LAP3ANPEPRNPEPDNPEP
SCHEMBL5718258 0.96 TDP1 (0.60) TDP1LAP3ANPEPRNPEPDNPEP
Hydrochloric Acid SCHEMBL17596474 0.95 TDP1 (0.58) TDP1LAP3ANPEPRNPEPDNPEP
SCHEMBL10085519 0.94 LAP3 (0.56) TDP1LAP3ANPEPRNPEPDNPEP
SCHEMBL21554929 0.94 LAP3 (0.56) TDP1LAP3ANPEPRNPEPDNPEP
SCHEMBL20027600 0.94 LAP3 (0.56) TDP1LAP3ANPEPRNPEPDNPEP
Hydrochloric Acid SCHEMBL3841624 0.93 LAP3 (0.54) TDP1LAP3ANPEPRNPEPDNPEP
Hydrochloric Acid SCHEMBL288950 0.93 LAP3 (0.54) TDP1LAP3ANPEPRNPEPDNPEP
Hydrochloric Acid SCHEMBL289721 0.93 LAP3 (0.54) TDP1LAP3ANPEPRNPEPDNPEP

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-6117870-A USEFUL AS THERAPEUTIC DRUG OR PREVENTIVE DRUG OF ARTHRITIS AND RHEUMATISM DUE TO INCREASE OF BONE RESORPTION IN ADDITION TO BONE DISEASES SUCH AS OSTEOPOROSIS, HYPERCALCEMIA, AND PAGET'S DISEASE FUJIREBIO KABUSHIKI KAISHA (JP) 2000-09-12 US disclosed