SCHEMBL16640941

SCHEMBL16640941

CCCCN(CC1CO1)c1ccc(OCCC[Si](OCC)(OCC)OCC)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.34
CYP19A1 P11511 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.32
CYP2D6 P10635 2/20 0.32
CYP3A4 P08684 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL16640994 0.95 ALDH1A1 (0.34) PTGESALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL16640921 0.92 LMNA (0.34) PTGESCYP19A1CYP2C9CYP2C19ALDH1A1
SCHEMBL16640990 0.88 ALDH1A1 (0.41) CYP2C9CYP2C19ALDH1A1SMN1; SMN2HPGD
SCHEMBL16640992 0.87 LSS (0.33) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA
SCHEMBL20226250 0.86 PTGES (0.41) PTGESCYP19A1CYP2C9CYP2C19ALDH1A1
SCHEMBL16640965 0.85
SCHEMBL19901214 0.85
SCHEMBL19901212 0.85
SCHEMBL16640945 0.83 TP53 (0.37) ALDH1A1HPGDCYP1A2
SCHEMBL16640939 0.83 TP53 (0.37) ALDH1A1HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902803-B2 Epoxy compound having alkoxy silyl group, composition comprising same, cured product, use thereof and method for preparing epoxy compound having alkoxy silyl group KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2018-02-27 US disclosed
US-20150105493-A1 EPOXY COMPOUND HAVING ALKOXY SILYL GROUP, COMPOSITION COMPRISING SAME, CURED PRODUCT, USE THEREOF AND METHOD FOR PREPARING EPOXY COMPOUND HAVING ALKOXY SILYL GROUP KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2015-04-16 US disclosed