SCHEMBL6895253

SCHEMBL6895253

CCCCC(O)c1ccccc1I

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PPARA Q07869 2/20 0.37
LMNA P02545 1/20 0.36
CSNK1E P49674 1/20 0.36
CNR2 P34972 1/20 0.36
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KCNH2 Q12809 1/20 0.35
POLB P06746 1/20 0.35
CA2 P00918 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
TSHR P16473 1/20 0.34
TOP1 P11387 1/20 0.34

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
SCHEMBL8216569 0.86 ALDH1A1 (0.46) PPARGALDH1A1KDM4EPPARALMNA
SCHEMBL30374198 0.84 CSNK1E (0.40) PPARGALDH1A1KDM4ECSNK1ECNR2
SCHEMBL30374958 0.84 CSNK1E (0.40) PPARGALDH1A1KDM4ECSNK1ECNR2
SCHEMBL15050733 0.84 CSNK1E (0.40) PPARGALDH1A1KDM4ECSNK1ECNR2
SCHEMBL15050136 0.84 CSNK1E (0.40) PPARGALDH1A1KDM4ECSNK1ECNR2
SCHEMBL15050140 0.84 CSNK1E (0.40) PPARGALDH1A1KDM4ECSNK1ECNR2
SCHEMBL15050734 0.84 CSNK1E (0.40) PPARGALDH1A1KDM4ECSNK1ECNR2
SCHEMBL15050139 0.84 CSNK1E (0.40) PPARGALDH1A1KDM4ECSNK1ECNR2
SCHEMBL27599791 0.82 CYSLTR2 (0.42) ALDH1A1KDM4ECNR2CYP3A4POLB
SCHEMBL16685696 0.82 LMNA (0.50) LMNACYP3A4CYP2D6SLC6A2SLC6A4

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-20040146495-A1 Method for assisting in differential diagnosis and treatment of autistic syndromes REPLIGEN CORPORATION, A DELAWARE CORPORATION 2004-07-29 US claimed