SCHEMBL27865627

SCHEMBL27865627

Cc1cc(C2CCC(C)CC2)ccc1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.44
▸ NPC1 O15118 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.37
▸ TSHR P16473 1/20 0.37
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SSTR4 P31391 1/20 0.32
▸ GRIA1 P42261 1/20 0.32
▸ GRIA2 P42262 1/20 0.32
▸ GRIA3 P42263 1/20 0.32
▸ GRIA4 P48058 1/20 0.32
▸ TBK1 Q9UHD2 1/20 0.32
▸ TYR P14679 1/20 0.31
▸ GBA1 P04062 1/20 0.30
▸ USP30 Q70CQ3 1/20 0.30
▸ BACE1 P56817 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL23752821 0.93 ESR2 (0.45) ESR2NPC1PKMRAB9AALDH1A1
SCHEMBL29012841 0.85 BACE1 (0.44) ESR2NPC1PKMRAB9AALDH1A1
SCHEMBL27881924 0.83 ESR2 (0.38) ESR2NPC1PKMRAB9AALDH1A1
SCHEMBL27865604 0.83 NPC1 (0.36) ESR2NPC1PKMRAB9AALDH1A1
SCHEMBL13453553 0.82 ESR2 (0.43) ESR2GRIA4TBK1USP30
SCHEMBL19107642 0.81 QDPR (0.51) ESR2NPC1PKMRAB9AALDH1A1
SCHEMBL27865603 0.81 ESR2 (0.42) ESR2NPC1TBK1GBA1
SCHEMBL24790803 0.77 PLG (0.40) ESR2NPC1PKMRAB9AALDH1A1
SCHEMBL17397793 0.76 QDPR (0.46) ESR2NPC1PKMRAB9AALDH1A1
SCHEMBL18663813 0.75 ESR2 (0.46) ESR2ALDH1A1LMNASSTR4TBK1

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-102596874-A Cyclic compound, method for producing same, radiation-sensitive composition, and method for forming resist pattern MITSUBISHI GAS CHEMICAL CO 2012-07-18 — — CN disclosed
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