SCHEMBL6906401

SCHEMBL6906401

COc1ccc2c(c1)C=CC(C)(CC(=O)O)C2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
POLB P06746 1/20 0.39
HSD17B10 Q99714 2/20 0.38
PTGS1 P23219 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
CYP1A2 P05177 3/20 0.36
POLA1 P09884 2/20 0.36
RYR2 Q92736 1/20 0.36
LMNA P02545 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
OPRM1 P35372 1/20 0.35

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
SCHEMBL9436899 1.00 HSD11B1 (0.40) HSD11B1POLBHSD17B10PTGS1AKR1C3
SCHEMBL31484123 1.00 HSD11B1 (0.40) HSD11B1POLBHSD17B10PTGS1AKR1C3
SCHEMBL11271707 0.90 RYR2 (0.34) HSD11B1HSD17B10PTGS1AKR1C3AKR1C2
SCHEMBL6909584 0.85 ALDH1A1 (0.40) HSD17B10ALDH1A1HPGDTSHRCYP1A2
SCHEMBL14303312 0.76 HTR2C (0.38)
SCHEMBL4966926 0.75 HTR5A (0.40) OPRM1
SCHEMBL9649135 0.69 ALDH1A1 (0.40) POLBHSD17B10ALDH1A1HPGDLMNA
SCHEMBL6817230 0.68 ALDH1A1 (0.43) HSD11B1POLBHSD17B10PTGS1AKR1C3
SCHEMBL3431949 0.67 POLA1 (0.49) HSD17B10ALDH1A1HPGDTSHRPOLA1
SCHEMBL4247415 0.67 PDE3B (0.43) HSD11B1POLBHSD17B10PTGS1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115768146-A Efficient perovskite solar cell regulated and controlled by chiral molecules and preparation method thereof 河北工业大学 2023-03-07 CN claimed
CN-108440591-B Synthesis method of chiral dihydrosilane compound 浙江大学 2021-03-05 CN claimed
CN-115768146-A Efficient perovskite solar cell regulated and controlled by chiral molecules and preparation method thereof 河北工业大学 2023-03-07 CN disclosed
CN-115768146-A Efficient perovskite solar cell regulated and controlled by chiral molecules and preparation method thereof 河北工业大学 2023-03-07 CN disclosed
CN-108440591-B Synthesis method of chiral dihydrosilane compound 浙江大学 2021-03-05 CN disclosed
CN-109876848-A A kind of confinement type CoCNx@C composite catalyst and its preparation method and application 南京大学 2019-06-14 CN disclosed
WO-2004065334-A1 METHOD OF REMOVING ORGANOTIN RESIDUE CHIROGEN PTY LIMITED (AU) 2004-08-05 WO disclosed
WO-2004065335-A1 ENANTIOSELECTIVE REDUCTION METHOD CHIROGEN PTY LIMITED (AU) 2004-08-05 WO disclosed