SCHEMBL11026299

SCHEMBL11026299

CCCC[C](C(C)C)C(CC)CCCC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.48
MAPK1 P28482 2/20 0.48
CA1 P00915 4/20 0.47
ALDH1A1 P00352 3/20 0.37
USP2 O75604 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL28179475 0.94 CA2 (0.47) CA2MAPK1CA1ALDH1A1CES2
SCHEMBL28180233 0.88 CA2 (0.41) CA2MAPK1CA1
SCHEMBL28180297 0.78 PTPN1 (0.32) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL7955527 0.78 CES1 (0.43) MAPK1CA1ALDH1A1CES2CES1
SCHEMBL8927877 0.75 CA2 (0.54) CA2MAPK1CA1ALDH1A1USP2
SCHEMBL4654332 0.75 CA2 (0.54) CA2MAPK1CA1ALDH1A1USP2
SCHEMBL8374155 0.74 TSHR (0.33) CA2MAPK1CA1CES2CES1
SCHEMBL22856212 0.71 CA2 (0.61) CA2MAPK1CA1ALDH1A1USP2
SCHEMBL6173918 0.71 CA2 (0.50) CA2MAPK1CA1ALDH1A1USP2
SCHEMBL9578928 0.71 CA2 (0.61) CA2MAPK1CA1

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-4503907-A Heat exchanger coated with aqueous coating composition HITACHI, LTD. (JP) 1985-03-12 US disclosed