SCHEMBL9681616

SCHEMBL9681616

CCC(C)(C(=O)c1ccc(N(C)C)cc1)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 5/20 0.46
TP53 P04637 3/20 0.46
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
ESR2 Q92731 1/20 0.45
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
NAMPT P43490 1/20 0.36
MLYCD O95822 1/20 0.36
PKM P14618 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
SCHEMBL8899027 0.85 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TSHRMAPK1MAPT
SCHEMBL9679558 0.85 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2TSHRMAPK1MAPT
SCHEMBL9679943 0.84 GSK3B (0.51) ALDH1A1SMN1; SMN2TSHRMAPK1MAPT
SCHEMBL9793482 0.84 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2TSHRMAPK1MAPT
SCHEMBL9679462 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TSHRMAPK1MAPT
SCHEMBL9681168 0.82 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TSHRMAPK1TP53
SCHEMBL96864 0.82 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2TSHRMAPK1MAPT
SCHEMBL10886140 0.81 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2TSHRMAPK1MAPT
SCHEMBL9679954 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TSHRMAPK1MAPT
SCHEMBL8899713 0.78 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TSHRMAPK1MAPT

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