SCHEMBL18121978

SCHEMBL18121978

Cc1ccc(OP(Oc2ccc(C(C)(C)C)cc2C)c2ccc(-c3ccc(P(Oc4ccc(C)cc4C)Oc4ccc(C(C)(C)C)cc4C)cc3)cc2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
KIF11 P52732 2/20 0.32
NR1I2 O75469 1/20 0.31
HTT P42858 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
ACHE P22303 1/20 0.30
POLB P06746 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 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
SCHEMBL15315292 0.89 ACHE (0.36) TSHRALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL32685566 0.89 ACHE (0.36) TSHRALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL12861914 0.86 NR1I2 (0.34) KDM4ETSHRALDH1A1MAPTCA1
SCHEMBL13475623 0.86 NR1I2 (0.34) KDM4ETSHRALDH1A1MAPTCA1
SCHEMBL14606132 0.84 TSHR (0.39) KDM4ETSHRRECQLALDH1A1SMN1; SMN2
SCHEMBL12056798 0.82 ACHE (0.39) TSHRALDH1A1MAPTSMN1; SMN2MRGPRX4
SCHEMBL10039472 0.80 USP2 (0.34) ALDH1A1MAPTSMN1; SMN2CA2HTT
SCHEMBL29355846 0.80 CA1 (0.35) KDM4EALDH1A1MAPTCA1CA2
SCHEMBL205802 0.80 CA1 (0.35) KDM4EALDH1A1MAPTCA1CA2
SCHEMBL10039495 0.79 TSHR (0.42) KDM4ETSHRRECQLALDH1A1MAPT

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-20160289377-A1 POLYCARBONATE COMPOSITIONS HAVING ENHANCED OPTICAL PROPERTIES, METHODS OF MAKING AND ARTICLES COMPRISING THE POLYCARBONATE COMPOSITIONS SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2016-10-06 US disclosed