SCHEMBL9681329

SCHEMBL9681329

COc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1SCCO

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 2/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 5/20 0.41
GLA P06280 1/20 0.41
HTT P42858 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 3/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 3/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL10888453 0.91 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPK1TSHRKMT2A
SCHEMBL9681338 0.90 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPK1TSHRKMT2A
SCHEMBL10889434 0.85 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MAPK1TSHRKMT2A
SCHEMBL10885469 0.82 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPK1TSHRKMT2A
SCHEMBL2319695 0.81 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPK1TSHRKMT2A
SCHEMBL10886342 0.81 THRB (0.39) ALDH1A1SMN1; SMN2MAPK1TSHRKMT2A
SCHEMBL727028 0.79 SMN1; SMN2 (0.69) ALDH1A1SMN1; SMN2MAPK1TSHRKMT2A
SCHEMBL10891993 0.78 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MAPK1TSHRKMT2A
SCHEMBL9681207 0.77 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPK1TSHRKMT2A
SCHEMBL10885003 0.77 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPK1TSHRKMT2A

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