SCHEMBL9681168

SCHEMBL9681168

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 3/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 2/20 0.46
FKBP1A P62942 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
MEN1 O00255 2/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL27800212 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TSHRMAPK1LMNA
SCHEMBL9679943 0.84 GSK3B (0.51) ALDH1A1SMN1; SMN2TSHRMAPK1LMNA
SCHEMBL9793482 0.84 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2TSHRMAPK1LMNA
SCHEMBL4418560 0.82 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2TSHRMAPK1LMNA
SCHEMBL9681616 0.82 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TSHRMAPK1LMNA
SCHEMBL96864 0.82 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2TSHRMAPK1LMNA
SCHEMBL10886140 0.81 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2TSHRMAPK1LMNA
SCHEMBL10888193 0.75 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TSHRMAPK1KMT2A
SCHEMBL9315390 0.75 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TSHRMAPK1LMNA
SCHEMBL9681095 0.75 GSK3B (0.50) ALDH1A1SMN1; SMN2TSHRMAPK1LMNA

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