SCHEMBL11744759

SCHEMBL11744759

O=CCc1ccc2c(C(F)(F)F)cccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 2/20 0.38
▸ HSD17B2 P37059 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TRPV1 Q8NER1 3/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ CCR2 P41597 2/20 0.34

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
SCHEMBL11737291 0.87 PTPRC (0.42) KDM4EMEN1KMT2ATRPV1HDAC3
SCHEMBL9229644 0.80 HSD17B1 (0.40) HSD17B1HSD17B2KDM4EMEN1KMT2A
SCHEMBL11737047 0.78 AKR1B1 (0.34) HSD17B1HSD17B2KDM4EMEN1KMT2A
SCHEMBL6858263 0.75 RXRA (0.47) RXRARXRBRXRGAR
SCHEMBL11741679 0.75 CYP1A2 (0.45) HSD17B1HSD17B2MEN1KMT2ATRPV1
SCHEMBL9715147 0.75 SLC9A1 (0.42) MEN1KMT2AROCK1
SCHEMBL11738780 0.75 CYP1A2 (0.53) HSD17B1HSD17B2ALDH1A1LMNAHPGD
SCHEMBL31347600 0.75 SLC9A1 (0.42) MEN1KMT2AROCK1
SCHEMBL11735543 0.72 SIRT2 (0.35) MEN1KMT2AROCK1ALDH1A1
SCHEMBL3637724 0.72 KIF11 (0.51) RXRARXRBRXRGFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4045485-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC AND ANTIPRURITIC ACTIVITY SYNTEX CORPORATION (US) 1977-08-30 — — US disclosed
US-3960936-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, SKIN DISORDERS SYNTEX CORPORATION (PM) 1976-06-01 — — US disclosed
US-3947472-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-03-30 — — US disclosed
US-3935273-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1976-01-27 — — US disclosed
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