SCHEMBL11359686

SCHEMBL11359686

CN1C(C)(C)CC(C(O)CC(=O)O)CC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
UGT2B7 P16662 2/20 0.35
SLC22A6 Q4U2R8 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GPR84 Q9NQS5 4/20 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
SCHEMBL22953394 0.81 APLNR (0.41) UGT2B7SLC22A6SMN1; SMN2ALDH1A1GLA
SCHEMBL76317 0.73 TDP1 (0.36) TSHRNFKB1CYP2C19
SCHEMBL9338828 0.73 TSHR (0.46) TSHRNFKB1CYP2C19
SCHEMBL9879415 0.72 TDP1 (0.47) TSHRNFKB1CYP2C19
SCHEMBL28247100 0.72 FFAR4 (0.40) TSHRNFKB1ALDH1A1GPR84
SCHEMBL11153675 0.71 TSHR (0.41) TSHRNFKB1CYP2C19
SCHEMBL27558706 0.71 CYP1A2 (0.40) TSHRNFKB1CYP2C19
SCHEMBL6694522 0.70 CYP1A2 (0.37) TSHRNFKB1CYP2C19GPR84
SCHEMBL11606230 0.70 TSHR (0.37) TSHRNFKB1CYP2C19
SCHEMBL30644788 0.70 CYP2D6 (0.38) TSHRNFKB1CYP2C19

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-4256627-A COMPRISING COMPLEXES OF POLYMERS HAVING UNITS CONTAINING ALKYLPIPERIDINE GROUPS AND NICKEL OR COBALT CARBOXYLATES OR ENOLATES CIBA-GEIGY CORPORATION (US) 1981-03-17 US disclosed