Isopropylamine

Isopropylamine

SCHEMBL10558459

CC(C)N.CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.59
CTSK P43235 4/20 0.59
CTSS P25774 3/20 0.59
CTSB P07858 3/20 0.59
ECE1 P42892 2/20 0.58
MME P08473 1/20 0.58
CA2 P00918 1/20 0.56
CA5A P35218 1/20 0.56
ATM Q13315 1/20 0.54
ELANE P08246 2/20 0.54
PRTN3 P24158 1/20 0.54
CA1 P00915 1/20 0.54
CASP3 P42574 3/20 0.53
CASP1 P29466 2/20 0.53
CASP7 P55210 2/20 0.53
CASP6 P55212 2/20 0.53
CASP8 Q14790 2/20 0.53
CASP9 P55211 1/20 0.53

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
Alanine SCHEMBL5485711 0.96 CTSL (0.58) CTSLCTSKCTSSCTSBECE1
SCHEMBL2978398 0.96 CTSL (0.63) CTSLCTSKCTSSCTSBECE1
SCHEMBL8671882 0.96 CTSL (0.63) CTSLCTSKCTSSCTSBECE1
SCHEMBL1287168 0.96 CTSL (0.63) CTSLCTSKCTSSCTSBECE1
SCHEMBL220569 0.96 CTSL (0.63) CTSLCTSKCTSSCTSBECE1
Valine SCHEMBL5917142 0.93 CTSL (0.56) CTSLCTSKCTSSCTSBECE1
Glycine SCHEMBL8365362 0.92 CTSL (0.57) CTSLCTSKCTSSCTSBECE1
SCHEMBL6272667 0.90 ECE1 (0.64) CTSLCTSKCTSSCTSBECE1
SCHEMBL7378851 0.90 ECE1 (0.64) CTSLCTSKCTSSCTSBECE1
SCHEMBL20854293 0.90 CTSL (0.57) CTSLCTSKCTSSCTSBECE1

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-4855454-A CHEMICAL INTERMEDIATES; SWEETENERS PFIZER INC. (US) 1989-08-08 US disclosed