SCHEMBL18541672

SCHEMBL18541672

c1ccc(CSCC2CCCO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.47
▸ MAPT P10636 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ TSHR P16473 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HPGD P15428 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CRBN Q96SW2 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL10865471 0.80 CRBN (0.44) MEN1KMT2AMAPTATMRAB9A
SCHEMBL10854504 0.79 HTT (0.41) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL10857201 0.79 HTT (0.41) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL19744326 0.79 CRBN (0.46) KMT2AALDH1A1MAPTHTTATM
SCHEMBL19744406 0.79 CRBN (0.46) KMT2AALDH1A1MAPTHTTATM
SCHEMBL14510166 0.78 CRBN (0.38) ALDH1A1MAPTATMRAB9ASMN1; SMN2
SCHEMBL14510164 0.78 CRBN (0.38) ALDH1A1MAPTATMRAB9ASMN1; SMN2
SCHEMBL2042093 0.77 RAB9A (0.50) ALDH1A1TSHRRAB9ASMN1; SMN2HPGD
SCHEMBL31372524 0.77 RAB9A (0.50) ALDH1A1TSHRRAB9ASMN1; SMN2HPGD
SCHEMBL19493715 0.77 RAB9A (0.50) ALDH1A1TSHRRAB9ASMN1; SMN2HPGD

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
WO-2017030684-A1 DEHYDRATIVE CYCLIZATION OF PENTITOLS USING WATER-TOLERANT LEWIS ACID CATALYSTS UNDER MILD CONDITIONS AND DERIVATIVES ARCHER DANIELS MIDLAND COMPANY (US) 2017-02-23 — — WO disclosed
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