SCHEMBL11295366

SCHEMBL11295366

CCOC(=O)CCCC(=O)c1cc(F)cc(N)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
NR1I2 O75469 1/20 0.38
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PTGS2 P35354 1/20 0.38
PDE4D Q08499 1/20 0.38
TNF P01375 5/20 0.37
NPC1 O15118 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NR4A1 P22736 1/20 0.36
USP2 O75604 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL11288410 0.93 CYP1A2 (0.36) CYP1A2TNFNPC1HSD17B10ALDH1A1
SCHEMBL11291816 0.86 MIF (0.41) CYP1A2NPC1HSD17B10ALDH1A1CYP3A4
SCHEMBL11325392 0.86 TSHR (0.43) NPC1HSD17B10ALDH1A1TSHRKDM4E
SCHEMBL11294157 0.84 HTR7 (0.46) NPC1HSD17B10ALDH1A1ALOX15TSHR
SCHEMBL11288946 0.84 CYP1A2 (0.41) CYP1A2TNFNPC1ALDH1A1CYP3A4
SCHEMBL11289019 0.83 HTT (0.48) ALDH1A1MAPTMEN1KMT2A
SCHEMBL11291507 0.82 PLA2G2A (0.49) ALDH1A1MAPTMEN1KMT2A
SCHEMBL11293235 0.82 CYP1A2 (0.40) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL11290793 0.81 ALDH1A1 (0.47) HSD17B10ALDH1A1ALOX15TSHRTDP1
Hydrochloric Acid SCHEMBL11295054 0.81 CYP1A2 (0.39) CYP1A2NR1I2PGRADORA3PTGS2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0065874-A1 2-Aminophenol derivatives, methods for their preparation and composition containing the same ONO PHARMACEUTICAL CO., LTD. (JP) 1982-12-01 EP disclosed