SCHEMBL1782004

SCHEMBL1782004

CN(C)CCCCN1CCN(C)CC1

nearest known ligand 0.86

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.47
SIGMAR1 Q99720 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
ALOX15 P16050 1/20 0.41
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
PIM1 P11309 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
SCHEMBL7029723 0.93 ALOX15 (0.46) PAOXSIGMAR1ALDH1A1TSHRALOX15
SCHEMBL27699518 0.85
SCHEMBL9434876 0.85 ALOX15 (0.50) ALDH1A1TSHRALOX15PIM1
SCHEMBL14357082 0.85 ALOX15 (0.41) PAOXSIGMAR1ALOX15PIM1
SCHEMBL8471267 0.84 HRH3 (0.56) SIGMAR1ALDH1A1TSHRALOX15
SCHEMBL8997844 0.84 PAOX (0.38) PAOXSIGMAR1ALDH1A1ALOX15USP2
SCHEMBL134397 0.83 PIM1 (0.39) PAOXSIGMAR1ALDH1A1PIM1
SCHEMBL14142584 0.83 PIM1 (0.39) PAOXSIGMAR1ALDH1A1PIM1
SCHEMBL19212956 0.83 PIM1 (0.39) PAOXSIGMAR1ALDH1A1PIM1
SCHEMBL25961628 0.83 SIGMAR1 (0.44) SIGMAR1ALDH1A1TSHRALOX15

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
EP-2753613-B1 DERIVATIVES OF XANTHONE COMPOUNDS AGENCY SCIENCE TECH & RES (SG) 2020-03-04 EP disclosed
US-8927613-B2 Cellular elastomer with little tendency toward creep at high temperatures BASF SE (DE) 2015-01-06 US disclosed
US-20110118373-A1 CELLULAR ELASTOMER WITH LITTLE TENDENCY TOWARD CREEP AT HIGH TEMPERATURES BASF SE (DE) 2011-05-19 US disclosed