SCHEMBL9507199

SCHEMBL9507199

O=C(c1ccc(-c2ccc(C(=O)c3ccccc3F)cc2)cc1)c1ccccc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.60
ATM Q13315 1/20 0.60
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
ALDH1A1 P00352 3/20 0.52
ALOX15 P16050 1/20 0.52
GAA P10253 1/20 0.52
ABCC9 O60706 1/20 0.51
ABCC8 Q09428 1/20 0.51
KCNJ11 Q14654 1/20 0.51
KCNJ8 Q15842 1/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
RAB9A P51151 2/20 0.48
TTR P02766 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL10759830 0.94 CES2 (0.62) CDC25BATMCES2CES1ALDH1A1
SCHEMBL10613768 0.93 LMNA (0.61) CDC25BATMCES2CES1ALDH1A1
SCHEMBL10611174 0.91 LIG1 (0.62) CDC25BATMCES2CES1ALDH1A1
SCHEMBL29377967 0.88 CES2 (0.56) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL896769 0.88 CES2 (0.56) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL29433447 0.87 AKR1C3 (0.61) CDC25BATMCES2CES1ALDH1A1
SCHEMBL333008 0.87 AKR1C3 (0.61) CDC25BATMCES2CES1ALDH1A1
SCHEMBL7118447 0.86 SRD5A2 (0.59) CDC25BATMCES2CES1ALDH1A1
SCHEMBL29963659 0.86 LIG1 (0.66) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL398083 0.86 LIG1 (0.66) CES2CES1ALDH1A1ALOX15GAA

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
EP-0298770-B1 POLY(ARYLENE ETHER KETONES)HAVING BIPHENYLENE-4,4'-DICARBONYL GROUPS RAYCHEM CORPORATION (US) 1993-09-29 EP disclosed
US-4855387-A TEREPHTHALOYL OR ISOPHTHALOYL CHLORIDE, DIPHENYL ETHER, P-DIPHENOXYBENZENE, 4,4'-DIPHENOXYBENZOPHENONE RAYCHEM CORPORATION (US) 1989-08-08 US disclosed
EP-0298770-A2 Poly(arylene ether ketones)having biphenylene-4,4'-dicarbonyl groups RAYCHEM CORPORATION (US) 1989-01-11 EP disclosed