SCHEMBL10456643

SCHEMBL10456643

CCCCCCCC1CCC(O)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.45
LSS P48449 2/20 0.45
ALDH1A1 P00352 1/20 0.43
SPHK2 Q9NRA0 4/20 0.41
SPHK1 Q9NYA1 4/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.40
ALOX5 P09917 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.38
GBA1 P04062 3/20 0.38
TRPV1 Q8NER1 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 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
SCHEMBL6719013 1.00 EPHX1 (0.45) EPHX1LSSALDH1A1SPHK2SPHK1
SCHEMBL4845153 0.91 CYP1A2 (0.48) EPHX1LSSHTTMEN1KMT2A
SCHEMBL10805853 0.91 CYP1A2 (0.48) EPHX1LSSHTTMEN1KMT2A
SCHEMBL14302528 0.89 LSS (0.41) EPHX1LSSALDH1A1SPHK2SPHK1
SCHEMBL5227653 0.88 CYP1A2 (0.47) EPHX1LSSCYP1A2
SCHEMBL13095873 0.88 CYP1A2 (0.47) EPHX1LSSCYP1A2
SCHEMBL16974802 0.88 CYP1A2 (0.47) EPHX1LSSCYP1A2
SCHEMBL4191389 0.87 EPHX1 (0.48) EPHX1LSSALDH1A1SPHK2SPHK1
SCHEMBL4896968 0.87 EPHX1 (0.48) EPHX1LSSALDH1A1SPHK2SPHK1
SCHEMBL4386493 0.87 EPHX1 (0.48) EPHX1LSSALDH1A1SPHK2SPHK1

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
EP-0358603-A2 Epoxy resins modified by block polymers CIBA-GEIGY AG (CH) 1990-03-14 EP disclosed