SCHEMBL19647072

SCHEMBL19647072

C[C@@H](C(=O)O)[C@H]1Cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 2/20 0.41
ACE P12821 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
XIAP P98170 1/20 0.38
MTNR1B P49286 2/20 0.38
MAPK1 P28482 2/20 0.38
MTNR1A P48039 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL19647389 1.00 GRM7 (0.41) GRM7ACEMAPTGAAXIAP
SCHEMBL16015557 0.86 MTNR1B (0.39) GRM7ACEXIAPMTNR1BMTNR1A
SCHEMBL19647090 0.83 GRM7 (0.39) GRM7ACEMAPTGAAXIAP
SCHEMBL11733442 0.83 PPARG (0.45) ACEMTNR1BMEN1TSHRKMT2A
SCHEMBL19647050 0.81 MTNR1A (0.41) ACEXIAPMTNR1BMAPK1MTNR1A
SCHEMBL14957322 0.79 GRM2 (0.40)
SCHEMBL19647376 0.78 DPP8 (0.41) GRM7ACEMTNR1BMAPK1MTNR1A
SCHEMBL19647051 0.76 MTNR1B (0.38) GRM7ACEXIAPMTNR1BMTNR1A
SCHEMBL23615429 0.76 MTNR1B (0.41) GRM7MTNR1BMAPK1MTNR1AMEN1
SCHEMBL14956738 0.76 MTNR1B (0.41) GRM7MTNR1BMAPK1MTNR1AMEN1

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-2780039-B1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER (US) 2017-11-29 EP disclosed