SCHEMBL11837826

SCHEMBL11837826

O=C(O)C(Cl)CCc1ccc(-c2ccccc2)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ PTGS2 P35354 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ FABP2 P12104 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ AKR1C4 P17516 1/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ CHRM3 P20309 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ AKR1C3 P42330 1/20 0.49
▸ AKR1C2 P52895 1/20 0.49
▸ AKR1C1 Q04828 1/20 0.49
▸ SLC22A6 Q4U2R8 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ HPGD P15428 1/20 0.49

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
SCHEMBL11837086 0.86 BACE1 (0.44) PTGS1KMT2ALMNATSHRHPGD
SCHEMBL11823054 0.84 CSNK2A1 (0.53) KMT2AMMP2MMP3HCAR2
SCHEMBL11827837 0.83 PPARG (0.49) MEN1KMT2ALMNAMMP2MMP3
SCHEMBL11821466 0.83 CD274 (0.39) PTGS1KMT2ALMNATSHRBACE1
SCHEMBL11829226 0.83 FOLH1 (0.41) PTGS1KMT2ALMNATSHRBACE1
SCHEMBL11828303 0.83 ADAMTS4 (0.41) PTGS1KMT2ALMNATSHRBACE1
SCHEMBL11832248 0.83 KMT2A (0.39) PTGS1KMT2ALMNATSHRBACE1
SCHEMBL11831544 0.83 MMP2 (0.47) AKR1C3AKR1C2MMP2MMP3S1PR1
SCHEMBL11830550 0.81 FOLH1 (0.46) PTGS1MEN1KMT2APTGS2FABP2
SCHEMBL11827462 0.80 CYP19A1 (0.44) FFAR1

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
US-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 — — US disclosed
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