SCHEMBL9681596

SCHEMBL9681596

CC(C)(C(=O)c1ccc2c(c1)Cc1ccccc1O2)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ ACSL1 P33121 1/20 0.38
▸ NAMPT P43490 2/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ CTNNB1 P35222 1/20 0.34

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
SCHEMBL10458798 0.86 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1TSHRMAPK1NAMPT
SCHEMBL10458525 0.86 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1TSHRMAPK1NAMPT
SCHEMBL23805897 0.83 SRD5A2 (0.52) SMN1; SMN2ALDH1A1TSHRMAPK1MAOA
SCHEMBL10456875 0.82 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1TSHRMAPK1HRH3
SCHEMBL22355416 0.81 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1TSHRMAPK1NAMPT
SCHEMBL12205867 0.80 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TSHRMAPK1NAMPT
SCHEMBL10717258 0.80 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TSHRMAPK1NAMPT
SCHEMBL9680429 0.80 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TSHRMAPK1HRH3
SCHEMBL9679495 0.78 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1TSHRMAPK1NAMPT
SCHEMBL10943297 0.78 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TSHRMAPK1MAOA

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
Send feedback