SCHEMBL11230544

SCHEMBL11230544

CC12CCC(C1)C(C(=O)O)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 1/20 0.38
SLC6A11 P48066 1/20 0.38
APLNR P35414 1/20 0.37
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GRM4 Q14833 5/20 0.34
CYP2C19 P33261 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
GRM8 O00222 1/20 0.34
GRM6 O15303 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
SLC1A2 P43004 2/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL24059815 1.00 SLC6A12 (0.38) SLC6A12SLC6A11APLNRALDH1A1USP2
SCHEMBL10293983 0.71 GRM4 (0.39) SLC6A12SLC6A11ALDH1A1LMNAGRM4
SCHEMBL24165561 0.68 SLC6A12 (0.33) SLC6A12SLC6A11MAPT
SCHEMBL9938778 0.68 SLC6A12 (0.48) SLC6A12SLC6A11ALDH1A1LMNAGRM4
SCHEMBL31181782 0.67 BTK (0.36) SLC6A12SLC6A11
SCHEMBL4069142 0.65 SLC6A12 (0.45) SLC6A12SLC6A11APLNRALDH1A1USP2
SCHEMBL8522673 0.64 APLNR (0.62) SLC6A12SLC6A11APLNRALDH1A1GRM4
Bicarbonate SCHEMBL3420781 0.64 LMNA (0.38) SLC6A12SLC6A11APLNRALDH1A1USP2
SCHEMBL1285655 0.64
SCHEMBL9473572 0.62 GRM4 (0.48) SLC6A12SLC6A11APLNRALDH1A1GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4357246-A Carboalkoxy alkyl norbornanes, organoleptic uses thereof and process for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-11-02 US disclosed
US-4312888-A FOODS, CHEWING GUM INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-01-26 US disclosed