SCHEMBL9755627

SCHEMBL9755627

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N[C@H](C(N)=O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ OPRM1 P35372 2/20 0.40
▸ OPRD1 P41143 2/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ F2RL1 P55085 2/20 0.40
▸ CLPP Q16740 2/20 0.39
▸ GAA P10253 1/20 0.38
▸ BACE1 P56817 2/20 0.38
▸ GRPR P30550 2/20 0.38

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
SCHEMBL9755632 0.93 KMT2A (0.43) KDM4EALDH1A1POLBKMT2AOPRM1
SCHEMBL9755638 0.88 ALDH1A1 (0.46) CTSBKDM4EALDH1A1POLBKMT2A
SCHEMBL9755624 0.86 OPRM1 (0.42) CTSBOPRM1OPRD1OPRK1F2RL1
SCHEMBL9755630 0.84 ALDH1A1 (0.50) CTSBKDM4EALDH1A1POLBKMT2A
SCHEMBL9755628 0.83 OPRD1 (0.44) KDM4EALDH1A1POLBKMT2AOPRM1
SCHEMBL9755640 0.82 ALDH1A1 (0.52) CTSBKDM4EALDH1A1POLBKMT2A
SCHEMBL9755635 0.81 OPRD1 (0.43) KDM4EALDH1A1POLBKMT2AOPRM1
SCHEMBL9755633 0.78 CTSB (0.48) CTSBOPRM1OPRD1OPRK1
SCHEMBL455429 0.78 ALDH1A1 (0.56) KDM4EALDH1A1POLBKMT2ACLPP
SCHEMBL457080 0.78 ALDH1A1 (0.56) KDM4EALDH1A1POLBKMT2ACLPP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991019984-A1 CARBOXYL-TERMINAL PROTEIN SEQUENCING METHOD AND APPARATUS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1991-12-26 — — WO disclosed
US-5064767-A CARBOXYL-TERMINAL PROTEIN SEQUENCING METHOD AND KIT THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1991-11-12 — — US disclosed
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