SCHEMBL18835781

SCHEMBL18835781

CC(C(=O)OC(C)(C)OC=O)C(C)c1c[nH]c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.42
FFAR1 O14842 2/20 0.42
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
KMT2A Q03164 6/20 0.38
MEN1 O00255 4/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NOD2 Q9HC29 1/20 0.37
MGAM O43451 3/20 0.37
GAA P10253 3/20 0.37
SI P14410 3/20 0.37
MGAM2 Q2M2H8 3/20 0.37
PKM P14618 1/20 0.37
NR4A2 P43354 1/20 0.36
CREBBP Q92793 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
Tert-Butyl Formate SCHEMBL27720203 0.76 NR4A2 (0.44) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL28224626 0.72 GPR84 (0.50) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL6987327 0.72 GPR84 (0.50) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL6287774 0.70 KMT2A (0.47) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL6287782 0.70 MAPT (0.47) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL27410864 0.69 GPR84 (0.53) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL5925145 0.69 HTR2A (0.52) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL5925148 0.69 HTR2A (0.52) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL7811477 0.69 HTR2A (0.52) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL20707187 0.69 GPR84 (0.56) GPR84FFAR1HTR2AHTR2CHTR2B

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
EP-2794607-B1 DERIVATIVES OF AZA ADAMANTANE AND USES THEREOF CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2017-05-10 EP disclosed