SCHEMBL11259539

SCHEMBL11259539

CC(C)CC1(c2ccccc2)NC(=O)OC1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.39
TSHR P16473 1/20 0.39
ADAM17 P78536 2/20 0.35
ELANE P08246 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
LMNA P02545 1/20 0.34
MMP3 P08254 1/20 0.33
CASP1 P29466 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 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
SCHEMBL28873111 0.82 CYP2C19 (0.35) CYP2C19TSHRADAM17ELANEMEN1
SCHEMBL11255982 0.82 CYP2C19 (0.53) CYP2C19TSHRADAM17MEN1KMT2A
SCHEMBL20332078 0.75 ADAM17 (0.41) CYP2C19TSHRADAM17ELANEMEN1
SCHEMBL20241794 0.70 ADAM17 (0.37) CYP2C19TSHRADAM17MEN1KMT2A
SCHEMBL20241795 0.70 ADAM17 (0.37) CYP2C19TSHRADAM17MEN1KMT2A
SCHEMBL20241797 0.70 ADAM17 (0.37) CYP2C19TSHRADAM17MEN1KMT2A
SCHEMBL20304019 0.69 TSHR (0.47) CYP2C19TSHRADAM17ELANEMEN1
SCHEMBL28873103 0.69 CYP2C19 (0.39) CYP2C19TSHRKMT2ALMNAMMP3
SCHEMBL11263469 0.69 CYP2C9 (0.48) LMNAALDH1A1
SCHEMBL11259531 0.67 HCAR3 (0.37) TSHRELANEMEN1KMT2AATM

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-4314023-A AZO-METHINE DYES KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1982-02-02 US disclosed