SCHEMBL21765629

SCHEMBL21765629

CCCCc1ccccc1/N=C/C=N/c1ccccc1CCCC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.68
CYP2D6 P10635 2/20 0.68
CYP2C9 P11712 2/20 0.68
LIPG Q9Y5X9 1/20 0.42
TLR8 Q9NR97 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
TYR P14679 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
BID P55957 3/20 0.34
BCL2L1 Q07817 3/20 0.34
MCL1 Q07820 3/20 0.34
BAK1 Q16611 3/20 0.34
MMP2 P08253 2/20 0.34
F7 P08709 2/20 0.34
F3 P13726 2/20 0.34
KDM4E B2RXH2 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
SCHEMBL21299300 0.90 CYP3A4 (0.60) CYP3A4CYP2D6CYP2C9LIPGTLR8
SCHEMBL5666344 0.88 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C9LIPGKDM4E
SCHEMBL5921320 0.85 CYP3A4 (0.52) CYP3A4CYP2D6CYP2C9LIPGBID
SCHEMBL5920392 0.85 CYP3A4 (0.52) CYP3A4CYP2D6CYP2C9LIPGBID
SCHEMBL5921445 0.84 CYP3A4 (0.51) CYP3A4CYP2D6CYP2C9LIPGPTGS2
SCHEMBL5920680 0.83 CYP3A4 (0.50) CYP3A4CYP2D6CYP2C9LIPGTHRA
SCHEMBL5920073 0.83 CYP3A4 (0.50) CYP3A4CYP2D6CYP2C9LIPGTHRA
SCHEMBL7644622 0.82 CYP3A4 (0.60) CYP3A4CYP2D6CYP2C9LIPGKDM4E
SCHEMBL5677442 0.82 CYP3A4 (0.49) CYP3A4CYP2D6CYP2C9LIPGBID
SCHEMBL48878 0.82 CYP3A4 (0.59) CYP3A4CYP2D6CYP2C9LIPGTLR8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11028230-B1 Method for condensation polymerization of hydroxyl-terminated polydiorganosiloxanes DOW SILICONES CORPORATION (US) 2021-06-08 US disclosed
US-20210163686-A1 METHOD FOR CONDENSATION POLYMERIZATION OF HYDROXYL-TERMINATED POLYDIORGANOSILOXANES DOW GLOBAL TECHNOLOGIES LLC 2021-06-03 US disclosed
WO-2020040885-A1 METHOD FOR CONDENSATION POLYMERIZATION OF HYDROXYL-TERMINATED POLYDIORGANOSILOXANES DOW SILICONES CORPORATION (US) 2020-02-27 WO disclosed