SCHEMBL9808023

SCHEMBL9808023

c1ccc(OCCSc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.61
▸ MAPK1 P28482 2/20 0.61
▸ KCNA3 P22001 1/20 0.58
▸ NPC1 O15118 5/20 0.56
▸ LMNA P02545 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ L3MBTL1 Q9Y468 5/20 0.53
▸ TDP1 Q9NUW8 3/20 0.53
▸ AR P10275 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ TAAR1 Q96RJ0 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ DRD2 P14416 4/20 0.51
▸ DRD4 P21917 4/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ DRD3 P35462 2/20 0.50
▸ TSHR P16473 1/20 0.50

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
SCHEMBL6939490 0.88 CHRNB2 (0.53) ALDH1A1MAPK1KCNA3NPC1LMNA
SCHEMBL9808097 0.87 KCNA3 (0.67) ALDH1A1MAPK1KCNA3NPC1LMNA
SCHEMBL10407801 0.86 DRD4 (0.53) ALDH1A1MAPK1KCNA3NPC1LMNA
SCHEMBL10598373 0.86 RAB9A (0.65) ALDH1A1MAPK1NPC1LMNARAB9A
SCHEMBL10345792 0.86 DRD2 (0.68) ALDH1A1MAPK1NPC1LMNARAB9A
SCHEMBL9808032 0.86 DRD2 (0.69) ALDH1A1KCNA3NPC1LMNARAB9A
SCHEMBL9808166 0.86 DRD2 (0.69) ALDH1A1MAPK1KCNA3NPC1LMNA
SCHEMBL9770356 0.85 NPC1 (0.63) ALDH1A1MAPK1NPC1RAB9AL3MBTL1
SCHEMBL31336657 0.82 POLB (0.54) ALDH1A1MAPK1NPC1LMNARAB9A
SCHEMBL29956665 0.82 CA1 (0.50) ALDH1A1MAPK1NPC1LMNARAB9A

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
US-4985393-A Bis/hydroxyphenylthio/ Compounds KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1991-01-15 — — US disclosed
EP-0373561-A2 Heat sensitive recording material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-06-20 — — EP disclosed
Send feedback