SCHEMBL9681338

SCHEMBL9681338

CCC(C)(C(=O)c1ccc(OC)c(SCCO)c1)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
KMT2A Q03164 5/20 0.41
HTT P42858 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 3/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 3/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL9681329 0.90 ALDH1A1 (0.49) ALDH1A1KMT2AHTTMEN1MAPT
SCHEMBL10888453 0.81 ALDH1A1 (0.49) ALDH1A1KMT2AHTTMEN1MAPT
SCHEMBL10889434 0.75 ALDH1A1 (0.61) ALDH1A1KMT2AHTTMEN1MAPT
SCHEMBL10886512 0.74 SMN1; SMN2 (0.48) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL9679488 0.74 SMN1; SMN2 (0.47) ALDH1A1MAPTSMN1; SMN2MAPK1TSHR
SCHEMBL10886342 0.73 THRB (0.39) ALDH1A1KMT2AHTTMEN1GLA
SCHEMBL10888317 0.73 SMN1; SMN2 (0.54) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL10886140 0.72 SMN1; SMN2 (0.56) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL10885469 0.72 ALDH1A1 (0.49) ALDH1A1KMT2AHTTMEN1SMN1; SMN2
SCHEMBL96864 0.71 ALDH1A1 (0.73) ALDH1A1KMT2AHTTMEN1MAPT

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
US-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed