SCHEMBL28117846

SCHEMBL28117846

CCCCC(CC)CCc1c(C(=O)O)cccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
CA2 P00918 3/20 0.51
CYP3A4 P08684 2/20 0.51
LMNA P02545 3/20 0.47
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 3/20 0.40
MAPK1 P28482 2/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARA Q07869 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38

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
SCHEMBL11422395 0.86 ALDH1A1 (0.52) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL11338154 0.83 HMGB1 (0.52) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL29672612 0.81 ALDH1A1 (0.48) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL7165074 0.81 ALDH1A1 (0.48) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL9281467 0.81 LMNA (0.53) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL6684614 0.80 ALDH1A1 (0.47) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL7102381 0.80 ALDH1A1 (0.47) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL679426 0.80 TSHR (0.49) ALDH1A1KDM4EMEN1RECQLKMT2A
SCHEMBL621545 0.80 ALDH1A1 (0.48) ALDH1A1CA2CYP3A4LMNAPRSS1
Isophthalic Acid SCHEMBL27395384 0.79 ALDH1A1 (0.46) ALDH1A1CA2CYP3A4LMNAPRSS1

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
CN-104403741-B A kind of worm and gear lubricant oil composite and preparation method thereof 中国石油化工股份有限公司 2017-03-29 CN disclosed