SCHEMBL7745301

SCHEMBL7745301

COC(=O)[C@@H]1C=CC=C[C@H]1C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.33
ITGA4 P13612 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CYP2C19 P33261 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
HTT P42858 1/20 0.31
PPM1B O75688 1/20 0.30
PTPN1 P18031 1/20 0.30
PPP1CC P36873 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
SCHEMBL6325156 1.00 ALDH1A1 (0.34) ALDH1A1MAPTITGA4CYP3A4CYP1A2
SCHEMBL28402037 1.00 ALDH1A1 (0.34) ALDH1A1MAPTITGA4CYP3A4CYP1A2
SCHEMBL7745297 1.00 ALDH1A1 (0.34) ALDH1A1MAPTITGA4CYP3A4CYP1A2
SCHEMBL6316629 0.91 POLB (0.36) ALDH1A1MAPTITGA4CYP3A4CYP1A2
SCHEMBL15447094 0.85 GAA (0.38) ALDH1A1MAPTTSHRHSD17B10POLB
SCHEMBL19346720 0.78
SCHEMBL12870314 0.76 ALDH1A1 (0.33) ALDH1A1CYP3A4CYP1A2CYP2D6TSHR
SCHEMBL28785563 0.76 CYP2C19 (0.40) ALDH1A1CYP1A2TSHRPOLBCYP2C19
SCHEMBL28750893 0.76 ALDH1A1 (0.33) ALDH1A1CYP3A4CYP1A2CYP2D6TSHR
SCHEMBL27608813 0.76 ALDH1A1 (0.33) ALDH1A1CYP3A4CYP1A2CYP2D6TSHR

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
CN-118063652-A Process for producing propylene copolymers using catalyst systems with improved copolymerization activity 韩华道达尔能源有限公司 2024-05-24 CN disclosed
CN-111171195-B Propylene polymerization solid catalyst for reducing VOC and method for producing polypropylene using the same 韩华道达尔能源有限公司 2022-12-27 CN disclosed
US-6423877-B1 OXIDATION OF DIOL; REACTING WITH ISOPROPENYL ACETATE; OXIDATION; ALKYLATION; REDUCTION; CYCLIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-07-23 US disclosed