SCHEMBL11314964

SCHEMBL11314964

COc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(OC)c1OCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ TSHR P16473 2/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ HPGD P15428 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ PGR P06401 2/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ ELANE P08246 1/20 0.42
▸ CD69 Q07108 1/20 0.42
▸ TNFRSF1A P19438 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL11308419 0.93 KDM4E (0.46) KDM4ETSHRALOX15HSD17B10HPGD
SCHEMBL11314969 0.86 KDM4E (0.47) KDM4ETSHRALOX15HSD17B10HPGD
SCHEMBL11314670 0.83 CD69 (0.45) TSHRHSD17B10HPGDSMN1; SMN2PGR
SCHEMBL11315111 0.80 PGR (0.39) KDM4ETSHRALOX15HSD17B10PGR
SCHEMBL11308421 0.80 KDM4E (0.44) KDM4ETSHRALOX15HSD17B10HPGD
SCHEMBL11305126 0.80 GLA (0.42) KDM4ETSHRSMN1; SMN2PGRELANE
SCHEMBL11313746 0.75 KDM4E (0.45) KDM4ETSHRALOX15HSD17B10HPGD
SCHEMBL10926369 0.74 KDM4E (0.79) KDM4ETSHRALOX15HSD17B10HPGD
SCHEMBL17287096 0.73 PGR (0.44) TSHRALOX15HSD17B10SMN1; SMN2PGR
SCHEMBL10687428 0.72 NR1H4 (0.52) TSHRHSD17B10PGRPTGDR2MEN1

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-4272550-A Omega-[4-(polyfluoro-2-hydroxy-2-propyl)-2,3,6-substituted-phenoxy and phenylthio]alkanoic acids and compounds related thereto SCHERING CORPORATION (US) 1981-06-09 — — US disclosed
US-4199597-A Omega-(4-polyfluoro-2-hydroxy-2-propyl)-2,3,6-substituted-phenoxy and phenylthio)alkanoic acids and compounds related thereto SCHERING CORPORATION (US) 1980-04-22 — — US disclosed
Send feedback