SCHEMBL21554147

SCHEMBL21554147

O=C(CCCCCCCCCCCCCCCCCCCCOCCO)NCCOCCO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.56
▸ CNR1 P21554 6/20 0.49
▸ CNR2 P34972 4/20 0.49
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ NAAA Q02083 1/20 0.42
▸ DNM1 Q05193 1/20 0.41
▸ FAAH O00519 2/20 0.41
▸ SELP P16109 1/20 0.41
▸ HPGD P15428 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ TDP1 Q9NUW8 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
SCHEMBL12013652 0.96 GAA (0.50) GAACNR1CNR2TSHRHTT
SCHEMBL4263001 0.96 GAA (0.50) GAACNR1CNR2TSHRHTT
SCHEMBL12013648 0.96 GAA (0.50) GAACNR1CNR2TSHRHTT
SCHEMBL12013657 0.96 GAA (0.50) GAACNR1CNR2TSHRHTT
SCHEMBL4270073 0.96 GAA (0.50) GAACNR1CNR2TSHRHTT
SCHEMBL12752075 0.94 GAA (0.47) GAACNR1CNR2TSHRHTT
SCHEMBL7713604 0.93 GAA (0.56) GAACNR1CNR2TSHRHTT
SCHEMBL26740253 0.92 GAA (0.49) GAACNR1CNR2HTTMEN1
SCHEMBL24983202 0.89 EPHX2 (0.45) GAACNR1CNR2TSHRFAAH
SCHEMBL12857028 0.89 GAA (0.49) GAACNR1CNR2TSHRHTT

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
EP-2346484-B1 COMPOSITION FOR THE PERMANENT SHAPING OF HUMAN HAIR KAO GERMANY GMBH (DE) 2019-11-06 — — EP disclosed
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