SCHEMBL11274667

SCHEMBL11274667

CCOc1ccc(Oc2cccc(COC(=O)C(C(C)C)C(C=C(Cl)Cl)C(C)C)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 7/20 0.34
ACACB O00763 3/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
ADAMTS4 O75173 1/20 0.34
IL6 P05231 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
LTA4H P09960 1/20 0.33
GAA P10253 1/20 0.32
ACACA Q13085 1/20 0.32

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
SCHEMBL11282323 0.92 P2RX3 (0.35) P2RX3ACACBNPC1ALDH1A1HPGD
SCHEMBL11275943 0.90 P2RX3 (0.34) P2RX3ACACBNPC1ALDH1A1HPGD
SCHEMBL11270567 0.90 P2RX3 (0.42) P2RX3MRGPRX4
SCHEMBL11267837 0.89 SCN9A (0.37) P2RX3ALDH1A1HPGDTSHRMAPK1
SCHEMBL11272947 0.83 P2RX3 (0.35) P2RX3ACACBNPC1ALDH1A1HPGD
SCHEMBL11279540 0.82 P2RX3 (0.43) P2RX3MRGPRX4
SCHEMBL11273182 0.82 P2RX3 (0.38) P2RX3ACACBADAMTS4GAA
SCHEMBL11284589 0.82 P2RX3 (0.43) P2RX3
SCHEMBL11271561 0.82 ADAMTS4 (0.33) ACACBADAMTS4
SCHEMBL11279224 0.82 ADAMTS4 (0.33) P2RX3ACACBALDH1A1SMN1; SMN2ADAMTS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4338326-A PESTICIDES UNION CARBIDE CORPORATION (US) 1982-07-06 US disclosed