SCHEMBL6835149

SCHEMBL6835149

O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N(C(=O)O)C1Cc1ccc(I)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MDM2 Q00987 7/20 0.31
PSEN1 P49768 3/20 0.31
PSEN2 P49810 3/20 0.31
APH1B Q8WW43 3/20 0.31
NCSTN Q92542 3/20 0.31
APH1A Q96BI3 3/20 0.31
PSENEN Q9NZ42 3/20 0.31
SIGMAR1 Q99720 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
CTSK P43235 1/20 0.31
CTRB1 P17538 1/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL7262995 0.87 SIGMAR1 (0.35) LMNACYP1A2CYP2C9CYP2C19RECQL
SCHEMBL9236157 0.78 MGAM (0.34) LMNACYP1A2CYP2C9CYP2C19RECQL
SCHEMBL6835179 0.77 NPSR1 (0.33) NPSR1MDM2PTGDR2
SCHEMBL6063582 0.76 ELANE (0.36) SMN1; SMN2NPSR1MDM2
SCHEMBL6063753 0.76 ELANE (0.36) SMN1; SMN2NPSR1MDM2
SCHEMBL7898908 0.76 MDM2 (0.34) MDM2PSEN1PSEN2APH1BNCSTN
SCHEMBL7898909 0.76 S1PR3 (0.39)
SCHEMBL8990837 0.75 MDM2 (0.42) LMNASMN1; SMN2MDM2
SCHEMBL22636048 0.75 ELANE (0.35) SMN1; SMN2NPSR1PTGDR2
SCHEMBL6918361 0.75 ELANE (0.35) SMN1; SMN2NPSR1PTGDR2

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-20040191926-A1 Ptp1b inhibitors and ligands NATIONAL INSTITUTES OF HEALTH 2004-09-30 US disclosed