SCHEMBL10356824

SCHEMBL10356824

CCCc1ccc(OCC(O)COCC)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.58
▸ MEN1 O00255 2/20 0.52
▸ HTR7 P34969 1/20 0.51
▸ MAPT P10636 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ S1PR1 P21453 1/20 0.48
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ NR3C1 P04150 1/20 0.46
▸ ADRB2 P07550 1/20 0.46
▸ ADRB1 P08588 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ CYP2J2 P51589 1/20 0.46
▸ PDE4D Q08499 1/20 0.46

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
SCHEMBL8960919 0.88 KMT2A (0.56) KMT2AMEN1HTR7MAPTALOX15
SCHEMBL6898109 0.84 KMT2A (0.52) KMT2AMEN1HTR7MAPTALOX15
SCHEMBL8470559 0.83 KMT2A (0.61) KMT2AMEN1HTR7MAPTALOX15
SCHEMBL13640085 0.83 KMT2A (0.61) KMT2AMEN1HTR7MAPTALOX15
SCHEMBL5494961 0.80 TDP1 (0.55) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL15140443 0.80 MEN1 (0.51) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL11959217 0.80 LMNA (0.58) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL8348164 0.80 LMNA (0.58) KMT2AMEN1HTR7MAPTALOX15
SCHEMBL27898991 0.78 KMT2A (0.56) KMT2AMEN1HTR7MAPTALOX15
SCHEMBL12869175 0.78 S1PR1 (0.58) KMT2AMEN1S1PR1LMNAADRB2

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-0388359-A1 Imidazoline compounds CIBA-GEIGY AG (CH) 1990-09-19 — — EP disclosed
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