SCHEMBL22580751

SCHEMBL22580751

CC1(C)CCCC2C3CC(=O)OC3CCC21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CYP19A1 P11511 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL14879825 0.78 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL22580577 0.70 — —
SCHEMBL17105744 0.69 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL21742805 0.69 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL13041723 0.69 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL18965610 0.66 SMN1; SMN2 (0.46) SMN1; SMN2
SCHEMBL5431775 0.64 SMN1; SMN2 (0.43) SMN1; SMN2
SCHEMBL17850726 0.63 SMN1; SMN2 (0.36) SMN1; SMN2
SCHEMBL15248049 0.63 SMN1; SMN2 (0.36) SMN1; SMN2
SCHEMBL15199801 0.63 SMN1; SMN2 (0.36) SMN1; SMN2

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
EP-3955885-B1 PERFUME PROLONGER HART & LIBERTY GROUP LTD (GB) 2023-10-11 — — EP disclosed
WO-2023191610-A1 COMPOSITION AND METHOD FOR TREATING SKIN PIGMENTATION DISORDERS WINNOX COSMECEUTICS SDN. BHD. (MY) 2023-10-05 — — WO disclosed
WO-2020212809-A1 PERFUME PROLONGER HART & LIBERTY GROUP LTD (GB) 2020-10-22 — — WO disclosed
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