SCHEMBL6037209

SCHEMBL6037209

C[C@@H](NC1(C)CCCCC1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.43
RAB9A P51151 1/20 0.39
LTA4H P09960 1/20 0.36
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
DPP4 P27487 1/20 0.31
FFAR3 O14843 1/20 0.31
CETP P11597 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL158231 1.00 MME (0.43) MMERAB9ALTA4HTSHRNFKB1
SCHEMBL203100 1.00 MME (0.43) MMERAB9ALTA4HTSHRNFKB1
SCHEMBL436374 0.98 MME (0.44) MMERAB9ALTA4HTSHRNFKB1
SCHEMBL200644 0.98 MME (0.44) MMERAB9ALTA4HTSHRNFKB1
SCHEMBL27524619 0.98 MME (0.44) MMERAB9ALTA4HTSHRNFKB1
SCHEMBL6102241 0.94 MME (0.41) MMERAB9ALTA4HTSHRNFKB1
SCHEMBL6102246 0.94 MME (0.41) MMERAB9ALTA4HTSHRNFKB1
SCHEMBL7848861 0.93 MME (0.39) MMERAB9ALTA4HTSHRNFKB1
SCHEMBL5328399 0.89 RAB9A (0.42) MMERAB9ALTA4HTSHRNFKB1
SCHEMBL3418395 0.88 MME (0.36) MMERAB9ALTA4H

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-20060084789-A1 Immunotherapeutic and immunoprphylactic reagents CIRCASSIA LIMITED (GB) 2006-04-20 US disclosed