SCHEMBL21553350

SCHEMBL21553350

COC(=O)C1(C)CC2CC1C1C3C=CC(CC3)C21

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SOD1 P00441 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL14521958 0.93 CYP3A4 (0.32) POLBCYP3A4TSHRSMN1; SMN2NPSR1
SCHEMBL201674 0.93 CYP3A4 (0.32) POLBCYP3A4TSHRSMN1; SMN2NPSR1
SCHEMBL4974775 0.82 CYP3A4 (0.34) CYP3A4TSHR
SCHEMBL30663526 0.81 CYP2C19 (0.36) CYP3A4TSHR
SCHEMBL9908360 0.80 POLB (0.31) POLBCYP3A4TSHRSMN1; SMN2NPSR1
SCHEMBL4980400 0.78 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL14507518 0.77
SCHEMBL22064277 0.77 ALDH1A1 (0.33) CYP3A4TSHRSMN1; SMN2ALDH1A1
SCHEMBL200547 0.77 ALDH1A1 (0.33) CYP3A4TSHRSMN1; SMN2ALDH1A1
SCHEMBL4977698 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564275-A1 METHACRYLIC COPOLYMER AND MOLDED ARTICLE Kuraray Co., Ltd. (JP) 2019-11-06 EP disclosed