SCHEMBL8733878

SCHEMBL8733878

[CH2]c1ccccc1C1OCCO1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
ACHE P22303 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
CYP2C19 P33261 1/20 0.30
TSHR P16473 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
SCHEMBL3727526 0.83 TSHR (0.36) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7060346 0.77 KMT2A (0.35) KMT2ANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11303294 0.74 TSHR (0.46) ACHETSHR
SCHEMBL252280 0.73 HTR2C (0.46) KMT2ANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2048903 0.73 HTR2A (0.44) KMT2ANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3199325 0.73 MEN1 (0.30) KMT2AMEN1CYP2C19TSHR
SCHEMBL9977539 0.73 MEN1 (0.30) KMT2AMEN1CYP2C19TSHR
SCHEMBL9404929 0.73 TDP1 (0.32) KMT2ASMN1; SMN2MEN1CYP2C19TSHR
SCHEMBL6590588 0.73 HTR2C (0.44) ACHEALDH1A1TSHR
SCHEMBL5485539 0.73 NSD2 (0.40) KMT2ANPC1ALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0701398-A4 INERT MATRIX COMPOSITION, PREPARATION THEREOF AND MICROEMULSIFIABLE CONCENTRATE ISP INVESTMENTS INC (US) 1998-01-07 EP disclosed
EP-0701398-A1 INERT MATRIX COMPOSITION, PREPARATION THEREOF AND MICROEMULSIFIABLE CONCENTRATE ISP INVESTMENTS INC. (US) 1996-03-20 EP disclosed
WO-1994028711-A1 INERT MATRIX COMPOSITION, PREPARATION THEREOF AND MICROEMULSIFIABLE CONCENTRATE ISP INVESTMENTS INC. (US) 1994-12-22 WO disclosed