Cyclohexane

Cyclohexane

SCHEMBL7825607

C1CCCCC1.CC(=O)Nc1sc(C)c(C)c1C(=O)O

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC1 P33527 3/20 0.57
▸ ALDH1A1 P00352 9/20 0.56
▸ MAPT P10636 6/20 0.54
▸ POLB P06746 3/20 0.54
▸ GRIN2C Q14957 1/20 0.51
▸ KMT2A Q03164 3/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ HPGD P15428 5/20 0.45
▸ LMNA P02545 3/20 0.45
▸ PLA2G1B P04054 1/20 0.45
▸ ATG4B Q9Y4P1 1/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ HTT P42858 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL21612947 0.95 ALDH1A1 (0.61) ABCC1ALDH1A1MAPTPOLBGRIN2C
SCHEMBL11324603 0.79 AIP (0.66) ALDH1A1MAPTPOLBGRIN2CKMT2A
SCHEMBL2807303 0.79 ALDH1A1 (0.60) ABCC1ALDH1A1MAPTPOLBGRIN2C
SCHEMBL8290785 0.77 ALDH1A1 (0.58) ABCC1ALDH1A1MAPTPOLBKMT2A
SCHEMBL7825608 0.76 ALDH1A1 (0.61) ABCC1ALDH1A1MAPTPOLBKMT2A
SCHEMBL23413214 0.76 GRIN2C (0.58) ABCC1ALDH1A1MAPTPOLBGRIN2C
SCHEMBL5851124 0.76 ALDH1A1 (0.78) ALDH1A1MAPTPOLBKMT2AMAPK1
SCHEMBL11356974 0.73 ALDH1A1 (0.75) ALDH1A1MAPTPOLBKMT2AMAPK1
SCHEMBL3745498 0.73 ABCC1 (0.51) ABCC1ALDH1A1MAPTPOLBGRIN2C
SCHEMBL20541663 0.72 ALDH1A1 (0.74) ABCC1ALDH1A1MAPTGRIN2CKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — WO disclosed
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