SCHEMBL9751830

SCHEMBL9751830

CC(C)(C)OC(=O)CC[C@H](NC(=O)c1ccc(N(CCCl)CCCl)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.45
ERBB2 P04626 5/20 0.45
LMNA P02545 1/20 0.40
DHFR P00374 3/20 0.40
P2RY12 Q9H244 5/20 0.38
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL7906473 0.85 KMT2A (0.52) LMNAHDAC6
SCHEMBL9751797 0.85 P2RY12 (0.38) DHFRP2RY12
SCHEMBL8722824 0.85 TYMS (0.37) LMNA
SCHEMBL8722803 0.84 TYMS (0.38) P2RY12
SCHEMBL9087240 0.81 P2RY12 (0.42) P2RY12
SCHEMBL9087244 0.81 P2RY12 (0.42) P2RY12
SCHEMBL2244069 0.81 ALDH1A1 (0.46) LMNAP2RY12
SCHEMBL9556410 0.81 P2RY12 (0.42) P2RY12
SCHEMBL12356372 0.81 ALDH1A1 (0.46) LMNAP2RY12
SCHEMBL8722966 0.81 ADAMTS5 (0.37) DHFRP2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0433360-A1 IMPROVEMENTS RELATING TO THE PRODUCTION OF PRODRUGS. CANCER RES CAMPAIGN TECH (GB) 1991-06-26 EP disclosed
WO-1990002729-A1 IMPROVEMENTS RELATING TO THE PRODUCTION OF PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1990-03-22 WO disclosed