SCHEMBL27914923

SCHEMBL27914923

O=C(c1ccc(Cl)cc1Br)C1CCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 11/20 0.57
▸ PPIA P62937 3/20 0.43
▸ PPIB P23284 2/20 0.43
▸ PPID Q08752 2/20 0.43
▸ PPIL1 Q9Y3C6 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ TAS1R2 Q8TE23 1/20 0.39
▸ FADS1 O60427 1/20 0.39
▸ P2RX7 Q99572 1/20 0.38
▸ MGLL Q99685 1/20 0.38

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
SCHEMBL25642142 0.79 PIN1 (0.59) PIN1MGLL
SCHEMBL27933389 0.79 PIN1 (0.59) PIN1MGLL
SCHEMBL27914888 0.79 PIN1 (0.59) PIN1MGLL
SCHEMBL28002344 0.77 PIN1 (0.70) PIN1PPIAPPIBPPIDTAS1R3
SCHEMBL12733130 0.76 PIN1 (0.77) PIN1PPIAPPIBPPIDPPIL1
SCHEMBL30799263 0.75 PIN1 (0.70) PIN1PPIAPPIBPPIDPPIL1
SCHEMBL30799618 0.73 TRPM8 (0.51) PIN1TAS1R3TAS1R1TAS1R2MGLL
SCHEMBL28002431 0.72 PIN1 (0.66) PIN1PPIAPPIBPPID
SCHEMBL27727175 0.70 PIN1 (0.58) PIN1
SCHEMBL30070890 0.70 PIN1 (0.58) PIN1TAS1R3TAS1R1TAS1R2

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
CN-103209949-A Halogenated indenones and process for producing optically active indanones or optically active indanols using the same KANEKA CORP 2013-07-17 — — CN disclosed
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