SCHEMBL2018073

SCHEMBL2018073

CC1CCCCC1(O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
FFAR3 O14843 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.31
FKBP1A P62942 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
SCHEMBL7439240 0.93 CYP1A2 (0.37) LMNACYP1A2FFAR3CYP2C19
SCHEMBL5162261 0.84
SCHEMBL15049000 0.83 FKBP1A (0.34) MAPTLMNACYP1A2TSHRCYP2C19
SCHEMBL15048929 0.83 FKBP1A (0.34) MAPTLMNACYP1A2TSHRCYP2C19
SCHEMBL15048930 0.83 FKBP1A (0.34) MAPTLMNACYP1A2TSHRCYP2C19
SCHEMBL15048999 0.83 FKBP1A (0.34) MAPTLMNACYP1A2TSHRCYP2C19
SCHEMBL15821446 0.78 CYP2C19 (0.36) MAPTCYP2C19FKBP1A
SCHEMBL6142784 0.76 LMNA (0.33) LMNATSHRCYP2C19
SCHEMBL7130222 0.76 LMNA (0.33) LMNATSHRCYP2C19
SCHEMBL2832691 0.76 LMNA (0.33) LMNATSHRCYP2C19

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
EP-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed