SCHEMBL9414313

SCHEMBL9414313

CCCCCCCCCCCCCCCCC=CC=CCCCCCCCCCCCCCCCC(CBr)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.41
▸ MMP1 P03956 6/20 0.41
▸ MMP2 P08253 2/20 0.41
▸ MMP3 P08254 2/20 0.41
▸ NR1I2 O75469 1/20 0.38
▸ MMP13 P45452 5/20 0.37
▸ MMP9 P14780 2/20 0.37
▸ ADAM17 P78536 2/20 0.37
▸ PPARG P37231 2/20 0.36
▸ GPR132 Q9UNW8 1/20 0.36
▸ FAAH O00519 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ MMP7 P09237 3/20 0.35

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
SCHEMBL31106608 0.76 MCHR1 (0.41) MCHR1MMP1NR1I2MMP13MMP9
SCHEMBL11762917 0.75 MMP1 (0.52) MMP1MMP2MMP3MMP13FAAH
SCHEMBL11762924 0.75 MMP1 (0.52) MMP1MMP2MMP3MMP13FAAH
SCHEMBL11761196 0.74 MMP1 (0.54) MMP1MMP2MMP3MMP13FAAH
SCHEMBL11761189 0.74 MMP1 (0.54) MMP1MMP2MMP3MMP13FAAH
SCHEMBL11759072 0.73 MMP1 (0.50) MMP1MMP2MMP3NR1I2MMP13
SCHEMBL11759058 0.73 MMP1 (0.50) MMP1MMP2MMP3NR1I2MMP13
SCHEMBL8575743 0.73 MCHR1 (0.43) MCHR1FAAHTSHRLMNACYP2D6
SCHEMBL8971913 0.72 MCHR1 (0.50) MCHR1MMP1MMP2MMP3NR1I2
SCHEMBL8971252 0.72 MCHR1 (0.50) MCHR1MMP1MMP2MMP3NR1I2

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
EP-0578135-A2 High polymer, ferro-electric liquid-crystalline composition containing the high polymer and raw material of the high polymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1994-01-12 — — EP disclosed
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