SCHEMBL27929751

SCHEMBL27929751

O=C(Cl)CC1CCC(F)(F)C1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.37
IL1B P01584 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL23927473 0.88 P2RX7 (0.32) APLNRP2RX7
SCHEMBL29224201 0.82 SLC6A1 (0.39) APLNR
SCHEMBL3185201 0.82 SLC6A1 (0.39) APLNR
SCHEMBL8040596 0.77 APLNR (0.41) APLNR
SCHEMBL2487994 0.76 BRD4 (0.39) APLNRP2RX7
SCHEMBL28158468 0.75 APLNR (0.39) APLNR
SCHEMBL12206362 0.73 ALDH1A1 (0.38) APLNR
SCHEMBL1661682 0.72 APLNR (0.36) APLNR
SCHEMBL16577416 0.72
SCHEMBL18027852 0.72

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-103492361-A Substituted 1-benzylcycloalkylcarboxlic acids and use thereof BAYER IP GMBH 2014-01-01 CN disclosed