SCHEMBL9814736

SCHEMBL9814736

NC(=O)CCC(CS)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.46
ALOX15 P16050 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
KMT2A Q03164 1/20 0.43
CPB2 Q96IY4 4/20 0.39
CPN1 P15169 1/20 0.37
ENPEP Q07075 6/20 0.37
ANPEP P15144 2/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PTGS1 P23219 1/20 0.32
SLC7A11 Q9UPY5 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 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
SCHEMBL16804739 0.79
SCHEMBL10044832 0.78 ALOX15 (0.44) FOLH1ALOX15BLMPMP22KMT2A
SCHEMBL11694381 0.78 ALOX15 (0.44) FOLH1ALOX15BLMPMP22KMT2A
SCHEMBL21906568 0.76 CA2 (0.61) ALOX15BLMPMP22KMT2ACA1
SCHEMBL6369370 0.76 ALOX15 (0.43) ALOX15BLMPMP22KMT2ACA1
SCHEMBL5867415 0.75 CPB2 (0.37) FOLH1ALOX15BLMPMP22CPB2
SCHEMBL21182210 0.74 CA1 (0.48) ALOX15BLMPMP22KMT2ACA1
SCHEMBL7026289 0.74 ALOX15 (0.41) ALOX15BLMPMP22KMT2ACA1
SCHEMBL4858659 0.74 CPB2 (0.47) FOLH1CPB2CPN1ENPEPANPEP
SCHEMBL5505813 0.73 FOLH1 (0.42) FOLH1ALOX15BLMPMP22KMT2A

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
US-5010103-A Anticarcinogenic agents THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF N.Y. (US) 1991-04-23 US disclosed
US-4927966-A ANTITUMOR THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1990-05-22 US disclosed