SCHEMBL11737291

SCHEMBL11737291

O=CCc1ccc2cccc(C(F)(F)F)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 1/20 0.42
▸ TRPV1 Q8NER1 3/20 0.38
▸ PTGER3 P43115 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ 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
▸ CCR2 P41597 2/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ NPY5R Q15761 1/20 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
SCHEMBL11744759 0.87 HSD17B1 (0.38) PTPRCTRPV1KDM4EMEN1KMT2A
SCHEMBL13387708 0.77 KIF11 (0.42) PTPRCTRPV1PTGER3KDM4EMEN1
SCHEMBL3816833 0.75 ALDH1A1 (0.52) KDM4EALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL6858263 0.75 RXRA (0.47) RXRARXRBRXRG
SCHEMBL11476667 0.74 PDK2 (0.46) PTPRCTRPV1KDM4EMEN1KMT2A
SCHEMBL3637724 0.72 KIF11 (0.51) RXRARXRBRXRG
SCHEMBL7837603 0.70 PTPRC (0.41) PTPRCTRPV1KDM4EMEN1KMT2A
SCHEMBL7837604 0.70 CYP2A6 (0.57) PTPRCTRPV1KDM4EMEN1KMT2A
SCHEMBL4593166 0.70 DAO (0.50) RXRARXRBRXRG
SCHEMBL5722020 0.70 DAO (0.50) CCR2RXRARXRBRXRG

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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