SCHEMBL9009580

SCHEMBL9009580

O=C1CC(O)C(=O)N1C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 2/20 0.50
CTRB1 P17538 1/20 0.50
P2RX1 P51575 1/20 0.49
P2RX3 P56373 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
HTR2C P28335 1/20 0.47
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45
NCSTN Q92542 2/20 0.45
APH1A Q96BI3 2/20 0.45
PSENEN Q9NZ42 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ELANE P08246 1/20 0.43

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
SCHEMBL22175038 0.82 HTR2C (0.50) P2RX4CTRB1P2RX1P2RX3SMN1; SMN2
SCHEMBL22214513 0.81 HTR2C (0.46) P2RX4CTRB1P2RX1P2RX3SMN1; SMN2
SCHEMBL20888347 0.81 CTRB1 (0.46) P2RX4CTRB1P2RX1P2RX3SMN1; SMN2
SCHEMBL22184884 0.81 HTR2C (0.55) P2RX4CTRB1P2RX1P2RX3SMN1; SMN2
SCHEMBL22175043 0.80 HTR2C (0.48) P2RX4CTRB1P2RX1P2RX3SMN1; SMN2
SCHEMBL274967 0.79 P2RX4 (0.58) P2RX4CTRB1P2RX1P2RX3SMN1; SMN2
SCHEMBL9009565 0.78 KMT2A (0.44) KMT2A
SCHEMBL24939029 0.77 CTRB1 (0.47) P2RX4CTRB1P2RX1P2RX3SMN1; SMN2
SCHEMBL24939028 0.77 CTRB1 (0.47) P2RX4CTRB1P2RX1P2RX3SMN1; SMN2
SCHEMBL876243 0.77 SMN1; SMN2 (0.49) P2RX4CTRB1P2RX1P2RX3SMN1; SMN2

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
EP-0516070-B1 Protected tryptophan derivatives, process to synthetize them and their use CALBIOCHEM NOVABIOCHEM AG (CH) 1996-11-06 EP disclosed
US-5300651-A Protected derivatives of tryptophan, processes for their preparation and their use for the preparation of dipeptide, polypeptide or protein structures CALBIOCHEM-NOVABIOCHEM AG (CH) 1994-04-05 US disclosed
EP-0516070-A1 Protected tryptophan derivatives, process to synthetize them and their use CALBIOCHEM-NOVABIOCHEM AG (CH) 1992-12-02 EP disclosed