SCHEMBL28985462

SCHEMBL28985462

CC(C)(C(=O)O)C1(CN)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
CACNA2D1 P54289 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADORA3 P0DMS8 1/20 0.33
CYP2C19 P33261 1/20 0.32
CPB2 Q96IY4 5/20 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
Hydrochloric Acid SCHEMBL841672 0.74 USP2 (0.38) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL7397987 0.74 USP2 (0.34) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL2524990 0.73 USP2 (0.32) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL10439065 0.70 ALDH1A1 (0.33) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL3271659 0.70 FFAR3 (0.35) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL23382050 0.69 CYP2C19 (0.33) USP2ALDH1A1LMNACYP1A2TSHR
Carbamic Acid SCHEMBL14690921 0.68 USP2 (0.33) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL7768539 0.68 CYP1A2 (0.47) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL15114675 0.67 ALDH1A1 (0.35) ALDH1A1TSHRADORA3CYP2C19
SCHEMBL8817711 0.67 CYP2C19 (0.48) USP2ALDH1A1LMNACYP1A2TSHR

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
CN-115989260-A Method for producing thermoplastic polyoxazolidinones 科思创德国股份有限公司 2023-04-18 CN disclosed