SCHEMBL117761

SCHEMBL117761

CCc1c(N)ccc(C(C)CC)c1N

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RORC P51449 1/20 0.33
AR P10275 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
SCHEMBL28877103 0.80 TSHR (0.41) TSHRUSP2ALDH1A1GAAPKM
SCHEMBL27984686 0.78
SCHEMBL840158 0.77 USP2 (0.37) TSHRUSP2ALDH1A1GAAPKM
SCHEMBL9222457 0.74 TSHR (0.39) TSHRUSP2ALDH1A1GAAPKM
SCHEMBL7060663 0.74 NOS3 (0.37) ALDH1A1HPGDALOX15HSD17B10
SCHEMBL9683779 0.73 TSHR (0.56) TSHRUSP2ALDH1A1GAAPKM
SCHEMBL6313100 0.72 GPR84 (0.32) ALDH1A1HPGDHSD17B10
Ammonia Solution, Strong SCHEMBL28697649 0.72 GABRA1 (0.38) ALDH1A1HPGDHSD17B10
SCHEMBL7126313 0.71 ALDH1A1 (0.32) ALDH1A1HPGDHSD17B10
SCHEMBL30117633 0.71 NOS3 (0.41) TSHRALDH1A1HPGDALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424913-A1 CASTABLE POLYUREA COMPOSITIONS FOR GOLF BALL COVERS Dow Global Technologies LLC (US) 2012-03-07 EP disclosed
WO-2010126931-A1 CASTABLE POLYUREA COMPOSITIONS FOR GOLF BALL COVERS DOW GLOBAL TECHNOLOGIES INC. (US) 2010-11-04 WO disclosed
EP-2069414-A1 SPRAY-APPLIED POLYURETHANEUREA COMPOSITES BASED ON POLYISOCYANATE PREPOLYMERS CONTAINING SOFT-SEGMENTS Bayer MaterialScience LLC (US) 2009-06-17 EP disclosed
WO-2008033345-A1 SPRAY-APPLIED POLYURETHANEUREA COMPOSITES BASED ON POLYISOCYANATE PREPOLYMERS CONTAINING SOFT-SEGMENTS BAYER MATERIALSCIENCE LLC (US) 2008-03-20 WO disclosed