SCHEMBL9450490

SCHEMBL9450490

O=C(N[C@H](C(=O)Oc1ccc([N+](=O)[O-])cc1)C(Cc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.47
CTSL P07711 6/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR2A P28223 1/20 0.45
CTSB P07858 3/20 0.45
CTRB1 P17538 2/20 0.45
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL9069779 0.87 PPARG (0.47) CTSLMEN1KMT2ACTSBITGA4
SCHEMBL7328473 0.86 HTR2A (0.53) CTSLMEN1KMT2AHTR2ACTSB
SCHEMBL7333604 0.86 HTR2A (0.53) CTSLMEN1KMT2AHTR2ACTSB
SCHEMBL2747548 0.86 MEN1 (0.50) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL7327394 0.85 CTSL (0.57) P2RX7CTSLMEN1KMT2ACTSB
SCHEMBL1715348 0.85 CTSL (0.57) P2RX7CTSLMEN1KMT2ACTSB
SCHEMBL10793551 0.85 CTSL (0.57) P2RX7CTSLMEN1KMT2ACTSB
SCHEMBL11771667 0.83 CTSL (0.55) CTSLMEN1KMT2AHTR2ACTSB
SCHEMBL7278892 0.83 CTSL (0.55) CTSLMEN1KMT2AHTR2ACTSB
SCHEMBL7278888 0.83 CTSL (0.55) CTSLMEN1KMT2AHTR2ACTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5212287-A Multistage synthesis of oligopeptides with protection of side groups then deprotection after reaction IMMUNETECH PHARMACEUTICALS, INC. (US) 1993-05-18 US claimed
US-5212287-A Multistage synthesis of oligopeptides with protection of side groups then deprotection after reaction IMMUNETECH PHARMACEUTICALS, INC. (US) 1993-05-18 US disclosed
US-3971822-A Aspartyl amide sweetening agents TANABE SEIYAKU CO., LTD. (JA) 1976-07-27 US disclosed