SCHEMBL3138483

SCHEMBL3138483

CCCCCC(N)NC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.41
SIGMAR1 Q99720 3/20 0.41
EPHX2 P34913 2/20 0.40
OPRM1 P35372 1/20 0.40
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
METAP1 P53582 1/20 0.37

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
SCHEMBL20540216 0.98 SIGMAR1 (0.44) EPHX1SIGMAR1EPHX2OPRM1ALDH1A1
SCHEMBL4528804 0.98 SIGMAR1 (0.44) EPHX1SIGMAR1EPHX2OPRM1ALDH1A1
SCHEMBL8949667 0.98 SIGMAR1 (0.44) EPHX1SIGMAR1EPHX2OPRM1ALDH1A1
SCHEMBL16949689 0.98 SIGMAR1 (0.44) EPHX1SIGMAR1EPHX2OPRM1ALDH1A1
SCHEMBL11097798 0.88 OPRM1 (0.43) OPRM1CYP1A2METAP1
SCHEMBL28080788 0.88 SMN1; SMN2 (0.39) EPHX1SIGMAR1EPHX2ALDH1A1
SCHEMBL8967551 0.85 SIGMAR1 (0.39) EPHX1SIGMAR1
SCHEMBL20093646 0.82 EPHX1 (0.42) EPHX1SIGMAR1EPHX2KMT2ACYP1A2
SCHEMBL24704621 0.81 SIGMAR1 (0.45) EPHX1SIGMAR1EPHX2ALDH1A1KMT2A
SCHEMBL19245329 0.81 SIGMAR1 (0.45) EPHX1SIGMAR1EPHX2ALDH1A1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100000693-A1 METHOD FOR PRODUCING A MULTI LAYER FIBER WEB FROM CELLULOSE FIBERS BASF SE (DE) 2010-01-07 US disclosed
US-4057513-A COBALT-MANGANESE-COPPER-ALKALI METAL-SILICON OXIDE BAYER AKTIENGESELLSCHAFT (DT) 1977-11-08 US disclosed
US-3997609-A Partially fluorinated amino ethers HOECHST AKTIENGESELLSCHAFT (DT) 1976-12-14 US disclosed