SCHEMBL7903605

SCHEMBL7903605

BrCCCBr.CCCCCCCCCCCCCCCCCCCCCCN(C)C

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 7/20 0.75
TSHR P16473 2/20 0.55
ALDH1A1 P00352 1/20 0.55
THRB P10828 1/20 0.40
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
GBA1 P04062 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
PLA2G1B P04054 1/20 0.34
PLA2G2A P14555 1/20 0.34

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
SCHEMBL8468925 1.00 DNM1 (0.75) DNM1TSHRALDH1A1THRBCA12
SCHEMBL8467869 1.00 DNM1 (0.75) DNM1TSHRALDH1A1THRBCA12
SCHEMBL7895664 1.00 DNM1 (0.75) DNM1TSHRALDH1A1THRBCA12
SCHEMBL3307838 1.00 DNM1 (0.75) DNM1TSHRALDH1A1THRBCA12
SCHEMBL7904773 0.95 DNM1 (0.75) DNM1TSHRALDH1A1THRBCA12
SCHEMBL29175288 0.95 DNM1 (0.75) DNM1TSHRALDH1A1THRBCA12
SCHEMBL7903172 0.95 DNM1 (0.75) DNM1TSHRALDH1A1THRBCA12
Bromoethane SCHEMBL14840431 0.90 DNM1 (0.83) DNM1TSHRALDH1A1THRBCA12
SCHEMBL1650408 0.89 ALDH1A1 (0.69) DNM1TSHRALDH1A1CA12CA2
Dymanthine SCHEMBL7895663 0.87 DNM1 (0.62) DNM1TSHRALDH1A1THRBS1PR2

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-1094801-A2 POLY(DIALLYLAMINE)-BASED BILE ACID SEQUESTRANTS GELTEX PHARMACEUTICALS, INC. (US) 2001-05-02 EP disclosed
WO-1998029107-A2 POLY(DIALLYLAMINE)-BASED BILE ACID SEQUESTRANTS GELTEX PHARMACEUTICALS, INC. (US) 1998-07-09 WO disclosed