SCHEMBL6652290

SCHEMBL6652290

O=C(O)C[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.63
FOLH1 Q04609 4/20 0.57
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CTRB1 P17538 2/20 0.53
TGM2 P21980 1/20 0.53
KEAP1 Q14145 2/20 0.52
NFE2L2 Q16236 2/20 0.52
CASP1 P29466 5/20 0.52
SLC1A3 P43003 1/20 0.50
SLC1A1 P43005 1/20 0.50

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
SCHEMBL6649610 1.00 HTT (0.63) HTTFOLH1LMNASMN1; SMN2CTRB1
SCHEMBL1024311 0.96 FOLH1 (0.61) HTTFOLH1LMNASMN1; SMN2TGM2
SCHEMBL6653860 0.95 FOLH1 (0.60) HTTFOLH1LMNASMN1; SMN2TGM2
SCHEMBL7064119 0.95 FOLH1 (0.60) HTTFOLH1LMNASMN1; SMN2TGM2
SCHEMBL6650048 0.94 HTT (0.55) HTTFOLH1LMNASMN1; SMN2CTRB1
SCHEMBL19285611 0.92 HTT (0.58) HTTFOLH1LMNASMN1; SMN2CTRB1
SCHEMBL6650374 0.92 HTT (0.58) HTTFOLH1LMNASMN1; SMN2CTRB1
SCHEMBL8646821 0.90 HTT (0.56) HTTFOLH1LMNASMN1; SMN2CTRB1
SCHEMBL8646826 0.90 HTT (0.56) HTTFOLH1LMNASMN1; SMN2CTRB1
SCHEMBL8650802 0.90 HTT (0.56) HTTFOLH1LMNASMN1; SMN2CTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3962317-A BACTERICIDES AMERICAN CYANAMID COMPANY (US) 1976-06-08 US claimed
EP-1117652-B1 TAN-1057 DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-05-26 EP disclosed
US-6617332-B1 Cyclic amidinourea derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-09-09 US disclosed
EP-1117652-A1 TAN-1057 DERIVATIVES Bayer Aktiengesellschaft (DE) 2001-07-25 EP disclosed
WO-2000012484-A1 TAN-1057 DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-09 WO disclosed
US-3962317-A BACTERICIDES AMERICAN CYANAMID COMPANY (US) 1976-06-08 US disclosed