SCHEMBL8411540

SCHEMBL8411540

N#Cc1ccc([C](O)CCc2ccc(F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.51
NSD2 O96028 2/20 0.50
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CYP19A1 P11511 8/20 0.47
VNN1 O95497 1/20 0.45
EPHX2 P34913 1/20 0.44
KDM4E B2RXH2 2/20 0.40
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
TP53 P04637 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL27600035 0.86 FFAR1 (0.50) FFAR1MAOAMAOBKDM4EALDH1A1
SCHEMBL8110686 0.83 NSD2 (0.56) FFAR1NSD2MAOAMAOBCYP19A1
SCHEMBL27618580 0.78 LOXL2 (0.57) FFAR1MAOAMAOBKDM4EALDH1A1
SCHEMBL8411721 0.77 MAOA (0.58) FFAR1NSD2MAOAMAOBCYP19A1
SCHEMBL7935598 0.73 MAOA (0.61) NSD2MAOAMAOBCYP19A1VNN1
SCHEMBL10671478 0.73 GSK3B (0.59) FFAR1NSD2EPHX2KCNJ1KCNH2
SCHEMBL17857729 0.73 TSHR (0.62) NSD2MAOAMAOBCYP19A1KDM4E
SCHEMBL13263434 0.72 FFAR1 (0.47) FFAR1MAOAMAOBKCNJ1KCNH2
SCHEMBL2339110 0.72 CYP2A6 (0.52) FFAR1MAOAMAOBKCNJ1KCNH2
SCHEMBL1337387 0.72 FFAR1 (0.69) FFAR1FFAR4

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-5962495-A ESTROGEN SENSITIVE DISEASES; BREAST CANCER; PROSTATE TUMORS RISTO ARVO SAKARI LAMMINTAUSTA (FI) 1999-10-05 US disclosed
US-5703109-A CYANOPHENYL-1,2,4-TRIAZOLE DERIVATIVE Oy, Orion-yhtyma (FI) 1997-12-30 US disclosed