SCHEMBL12376897

SCHEMBL12376897

CCCNCCOCCNC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.35
RECQL P46063 1/20 0.35
EPHX1 P07099 1/20 0.35
HTR1B P28222 2/20 0.34
ALDH1A1 P00352 1/20 0.32
PAOX Q6QHF9 1/20 0.31
HTR1D P28221 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL26280264 0.98 TSHR (0.39) TSHRKDM4ERECQLEPHX1HTR1B
SCHEMBL27418647 0.93 TSHR (0.35) TSHRKDM4ERECQLEPHX1HTR1B
SCHEMBL801169 0.89 HTR1B (0.36) TSHRKDM4ERECQLHTR1BHTR1D
SCHEMBL13668379 0.89 TSHR (0.40) TSHRKDM4ERECQLHTR1BALDH1A1
SCHEMBL15713284 0.87 TSHR (0.43) TSHRKDM4ERECQLHTR1BALDH1A1
SCHEMBL15788000 0.84 TSHR (0.38) TSHRKDM4ERECQLHTR1BALDH1A1
SCHEMBL25828110 0.84 TSHR (0.51) TSHRKDM4ERECQLEPHX1ALDH1A1
SCHEMBL24763989 0.83 CARM1 (0.38) KDM4EALDH1A1
SCHEMBL19400017 0.83 TSHR (0.35) TSHRKDM4ERECQLEPHX1ALDH1A1
SCHEMBL23651532 0.83 KDM4E (0.42) TSHRKDM4ERECQLHTR1BALDH1A1

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-7989586-B2 Multiblock copolymers having improved mechanical properties CORNELL RESEARCH FOUNDATION, INC. (US) 2011-08-02 US disclosed