SCHEMBL9736181

SCHEMBL9736181

O=C(CCl)NCC(CO)(CO)CNC(=O)CCl

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TEAD1 P28347 1/20 0.32
YAP1 P46937 1/20 0.32
TEAD4 Q15561 1/20 0.32
TEAD2 Q15562 1/20 0.32

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
SCHEMBL31169261 0.74 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL4866354 0.73 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TEAD1YAP1TEAD4
SCHEMBL1290037 0.73 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2
SCHEMBL30105977 0.72 CYP2D6 (0.35) ALDH1A1
SCHEMBL22833656 0.71 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TEAD1YAP1TEAD4
SCHEMBL203440 0.71
SCHEMBL5533465 0.70 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2TEAD1YAP1TEAD4
SCHEMBL11039351 0.70 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TEAD1YAP1TEAD4
SCHEMBL8038216 0.69
SCHEMBL7495133 0.68 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TEAD1YAP1TEAD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0365541-B1 PREPARATION OF 5-ACYLAMINO-2,4,6-TRIIODO- OR TRIBROMO-BENZOIC ACID DERIVATIVES BRACCO S.p.A. (IT) 1992-08-12 EP disclosed
US-5066823-A Rearrangement reaction, contrast agent for radiology BRACCO INDUSTRIA CHEMICA S.P.A. (IT) 1991-11-19 US disclosed
EP-0365541-A1 PREPARATION OF 5-ACYLAMINO-2,4,6-TRIIODO- OR TRIBROMO-BENZOIC ACID DERIVATIVES. BRACCO IND CHIMICA SPA (IT) 1990-05-02 EP disclosed
WO-1988009328-A1 PREPARATION OF 5-ACYLAMINO-2,4,6-TRIIODO- OR TRIBROMO-BENZOIC ACID DERIVATIVES BRACCO INDUSTRIA CHIMICA S.P.A. (IT) 1988-12-01 WO disclosed