SCHEMBL4634641

SCHEMBL4634641

Cc1ccc(S(=O)(=O)OCC2(Cc3ccc(F)cc3)CCN(C(=O)O)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
FKBP1A P62942 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
TP53 P04637 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
RORC P51449 1/20 0.39
PKM P14618 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
P2RX7 Q99572 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38

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
SCHEMBL5674701 0.88 MEN1 (0.48) RORCP2RX7
SCHEMBL618008 0.79 APP (0.42) ALDH1A1KDM4EPOLBPKML3MBTL1
SCHEMBL26988028 0.76 APP (0.41) ALDH1A1KDM4EPKM
SCHEMBL19205339 0.76 APP (0.41) ALDH1A1KDM4EPKM
SCHEMBL16415507 0.75 STAT3 (0.42) ALDH1A1KDM4EPKMKEAP1
SCHEMBL9467353 0.74 BCHE (0.41) ALDH1A1ATML3MBTL1KEAP1NFE2L2
SCHEMBL23540158 0.74 APP (0.50) MAPTRORCP2RX7
SCHEMBL4634337 0.73 OPRM1 (0.43)
SCHEMBL3353600 0.73 RORC (0.46) RORC
SCHEMBL27077300 0.73 ALDH1A1 (0.38) ALDH1A1KDM4ETP53MAPTRORC

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-1928829-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Schering Aktiengesellschaft (DE) 2008-06-11 EP disclosed
WO-2006066948-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-29 WO disclosed