SCHEMBL9680992

SCHEMBL9680992

CC(C)(C(=O)c1ccc(Oc2ccccc2)cc1)N1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MAPK1 P28482 3/20 0.51
PARP10 Q53GL7 1/20 0.46
SRD5A2 P31213 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GLA P06280 1/20 0.45
NAAA Q02083 1/20 0.45
KDM2B Q8NHM5 3/20 0.43
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
LMNA P02545 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.43
MGLL Q99685 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL11263701 0.94 ALDH1A1 (0.47) ALDH1A1MAPK1PARP10MEN1KMT2A
SCHEMBL9680403 0.86 HPGD (0.52) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL1553060 0.86 ALDH1A1 (0.60) ALDH1A1MAPK1PARP10SRD5A2MEN1
SCHEMBL3007482 0.84 HPGD (0.48) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL9681617 0.83 HPGD (0.57) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL9680438 0.83 ALDH1A1 (0.54) ALDH1A1MAPK1SRD5A2MEN1KMT2A
SCHEMBL10943797 0.83 CES2 (0.48) ALDH1A1MAPK1KMT2ALMNANPC1
SCHEMBL9681651 0.81 HPGD (0.58) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL10944199 0.81 ALDH1A1 (0.56) ALDH1A1MAPK1SRD5A2MEN1KMT2A
SCHEMBL9680468 0.79 ALDH1A1 (0.52) ALDH1A1MAPK1LMNANPC1RAB9A

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 3 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
US-4960746-A A-HYDROXY-OR A-AMINO-ACETOPHENONES AND A TITANOCENE COMPOUND SUBSTITUTED BY FLUORINE CIBA-GEIGY CORPORATION (US) 1990-10-02 US disclosed