SCHEMBL1460229

SCHEMBL1460229

CCCCCCNCCCC(N)CN

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
ANPEP P15144 1/20 0.43
ERAP2 Q6P179 1/20 0.43
RRM1 P23921 1/20 0.42
PLA2G1B P04054 1/20 0.41
PLA2G2A P14555 1/20 0.41
S1PR2 O95136 5/20 0.40
S1PR4 O95977 5/20 0.40
S1PR1 P21453 5/20 0.40
S1PR3 Q99500 5/20 0.40
RELA Q04206 4/20 0.40
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
S1PR5 Q9H228 1/20 0.40
DPP7 Q9UHL4 1/20 0.40

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
SCHEMBL28352525 1.00 ALDH1A1 (0.52) ALDH1A1TSHRANPEPERAP2RRM1
SCHEMBL28667034 0.92 ALDH1A1 (0.52) ALDH1A1TSHRANPEPERAP2RRM1
SCHEMBL1459003 0.92 ALDH1A1 (0.52) ALDH1A1TSHRANPEPERAP2RRM1
SCHEMBL11826637 0.92 ALDH1A1 (0.52) ALDH1A1TSHRANPEPERAP2RRM1
SCHEMBL11830992 0.86 ALDH1A1 (0.50) ALDH1A1TSHRANPEPERAP2RRM1
SCHEMBL16429465 0.86 ALDH1A1 (0.50) ALDH1A1TSHRRRM1RELAGNAI3
SCHEMBL6429352 0.86 ALDH1A1 (0.50) ALDH1A1TSHRANPEPERAP2RRM1
SCHEMBL9329694 0.83 PPARA (0.45) ALDH1A1TSHR
SCHEMBL1019696 0.83 PLA2G1B (0.56) ALDH1A1TSHRPLA2G1BPLA2G2AS1PR2
SCHEMBL11055261 0.83 PLA2G1B (0.56) ALDH1A1TSHRPLA2G1BPLA2G2AS1PR2

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-2475534-A1 COMPOSITIONS AND METHODS FOR PRODUCING POLY-AMINOFUNCTIONALIZED POLYMERIZATION INITIATORS AND CORRESPONDING POLYMERS Bridgestone Corporation (JP) 2012-07-18 EP disclosed
WO-2011031943-A1 COMPOSITIONS AND METHODS FOR PRODUCING POLY-AMINOFUNCTIONALIZED POLYMERIZATION INITIATORS AND CORRESPONDING POLYMERS BRIDGESTONE CORPORATION (JP) 2011-03-17 WO disclosed