SCHEMBL23710550

SCHEMBL23710550

C=C(NCCc1cccc(OC)c1)C(OC)[C@H](N)CC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.45
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CNR1 P21554 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39

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
SCHEMBL12038632 0.88 CTSD (0.51) CTSDCTSLCTSSCA1CA2
SCHEMBL12022069 0.82 CTSD (0.51) CTSDALDH1A1CTSLCTSSCA1
SCHEMBL7359549 0.81 METAP2 (0.57) CTSDMETAP2METAP1
Hydrochloric Acid SCHEMBL7356534 0.80 METAP2 (0.56) CTSDMETAP2METAP1
SCHEMBL21582888 0.78 MMP3 (0.45) CTSDCTSLCTSSMETAP2METAP1
SCHEMBL17880861 0.77 METAP2 (0.44) CTSLCTSSMETAP2METAP1
SCHEMBL14984963 0.77 METAP2 (0.44) CTSLCTSSMETAP2METAP1
SCHEMBL18596854 0.75 PKM (0.40) CTSDLMNAPKMMETAP2METAP1
SCHEMBL14984991 0.73 NPC1 (0.53) ALDH1A1LMNAHTTMETAP2METAP1
SCHEMBL11475368 0.73 EPHX2 (0.67) ALDH1A1CA1CA2CNR1MTNR1A

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
EP-3858385-A2 POLYMER-CONJUGATED METAP2 INHIBITORS, AND THERAPEUTIC METHODS OF USE THEREOF Syndevrx, Inc. (US) 2021-08-04 EP disclosed