SCHEMBL24176299

SCHEMBL24176299

CC1(C)C[C@H]2[C@H]1CC[C@@]1(C)C[C@]2(O)CC[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
AKR1B10 O60218 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
SCHEMBL29801778 1.00 ALDH1A1 (0.53) ALDH1A1CYP3A4L3MBTL1USP2LMNA
SCHEMBL15944367 1.00 ALDH1A1 (0.53) ALDH1A1CYP3A4L3MBTL1USP2LMNA
SCHEMBL3000358 0.77 CYP3A4 (0.44) ALDH1A1CYP3A4
SCHEMBL22417663 0.70 CYP3A4 (0.57) ALDH1A1CYP3A4L3MBTL1USP2LMNA
Beta-Caryophyllene Alcohol SCHEMBL3508459 0.69 ALDH1A1 (1.00) ALDH1A1CYP3A4USP2LMNAMAPT
Beta-Caryophyllene Alcohol SCHEMBL22108417 0.69 ALDH1A1 (1.00) ALDH1A1CYP3A4USP2LMNAMAPT
Beta-Caryophyllene Alcohol SCHEMBL17627671 0.69 ALDH1A1 (1.00) ALDH1A1CYP3A4USP2LMNAMAPT
Beta-Caryophyllene Alcohol SCHEMBL15262040 0.69 ALDH1A1 (1.00) ALDH1A1CYP3A4USP2LMNAMAPT
3,7-Epoxycaryophyllan-6-Ol SCHEMBL24176356 0.66 CYP3A4 (1.00) ALDH1A1CYP3A4
3,7-Epoxycaryophyllan-6-Ol SCHEMBL24176170 0.66 CYP3A4 (1.00) ALDH1A1CYP3A4

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
US-20220000157-A1 MOUTH-COATING FEEL ENHANCER AJINOMOTO CO., INC. (JP) 2022-01-06 US disclosed