SCHEMBL19256954

SCHEMBL19256954

CCOCOc1ccc(-c2ccc(OCOCC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.55
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 3/20 0.45
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
XDH P47989 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
LTA4H P09960 2/20 0.41
CYP19A1 P11511 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
TP53 P04637 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40

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
SCHEMBL8751807 0.92 NQO1 (0.63) NQO1TSHRTDP1NPC1LTA4H
SCHEMBL21944637 0.91 RAB9A (0.53) NQO1NPC1RAB9ALTA4HTP53
SCHEMBL23906784 0.85 LTA4H (0.58) NQO1TSHRTDP1LTA4HSMN1; SMN2
SCHEMBL3480599 0.84 KIF11 (0.45) TP53CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL4544518 0.83 NQO1 (0.52) NQO1TSHRTDP1RAB9ASMN1; SMN2
SCHEMBL9155582 0.81 NQO1 (0.82) NQO1CYP3A4CYP2D6TSHRTDP1
SCHEMBL18417193 0.81 NQO1 (0.82) NQO1CYP3A4CYP2D6TSHRTDP1
SCHEMBL5833291 0.81 NQO1 (0.82) NQO1CYP3A4CYP2D6TSHRTDP1
SCHEMBL1024643 0.81 APP (0.50) NQO1TSHRTDP1LTA4H
SCHEMBL9856113 0.81 LTA4H (0.63) NQO1LTA4HCYP19A1CYP2C19CYP1A2

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
EP-3467069-A1 SEMICONDUCTOR DEVICE, METHOD FOR PRODUCING THE SAME, AND LAMINATE Shin-Etsu Chemical Co., Ltd. (JP) 2019-04-10 EP disclosed
EP-2738797-B1 ADHESIVE LAMINATE FOR TEMPORARILY ADHERING A WAFER TO A SUPPORT, WAFER PROCESSING LAMINATE CONSISTING OF SAID SUPPORT, ADHESIVE LAMINATE AND WAFER, WAFER PROCESSING MEMBER CONSISTING OF SAID SUPPORT AND SAID ADHESIVE LAMINATE, AND METHOD OF MANUFACTURING A THIN WAFER USING SAID ADHESIVE LAMINATE SHINETSU CHEMICAL CO (JP) 2017-08-16 EP disclosed