SCHEMBL29133611

SCHEMBL29133611

CCOC(=O)CC1CC(F)(F)CCO1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TRPA1 O75762 1/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
KCNH2 Q12809 1/20 0.33
GRIN2B Q13224 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL24454459 0.81 ALDH1A1 (0.38) MIFALDH1A1TSHRPOLBLMNA
SCHEMBL29272325 0.80 POLB (0.38) MIFALDH1A1TSHRPOLBLMNA
SCHEMBL29133627 0.77 CYP1A2 (0.38)
SCHEMBL28474394 0.77 GAA (0.43) MIFALDH1A1TRPA1TSHRPOLB
SCHEMBL30236895 0.76 MIF (0.31) MIFPOLBSIGMAR1
SCHEMBL29224293 0.75 ALDH1A1 (0.35) ALDH1A1TSHRPOLBLMNASIGMAR1
SCHEMBL12206362 0.73 ALDH1A1 (0.38) ALDH1A1TRPA1TSHRPOLBMGAM
SCHEMBL20776450 0.73
SCHEMBL7804568 0.73
SCHEMBL7803427 0.73

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-117098757-A GPR84 antagonists and uses thereof 里米诺生物科学有限公司 2023-11-21 CN disclosed