SCHEMBL10345935

SCHEMBL10345935

CC(C)Oc1ccc(SCCSc2ccc(OC(C)C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.45
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
PARP10 Q53GL7 1/20 0.42
ALDH1A1 P00352 4/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL5171995 0.92 ALDH1A3 (0.42) ALDH1A3POLBKMT2ACYP1A2GAA
SCHEMBL8425534 0.88 ALDH1A3 (0.40) ALDH1A3POLBKMT2ACYP1A2GAA
SCHEMBL2154579 0.88 HPGD (0.45) ALDH1A3POLBKMT2ACYP1A2GAA
SCHEMBL7264666 0.87 MAOA (0.54) ALDH1A3POLBKMT2ACYP1A2GAA
SCHEMBL5167450 0.85 ALDH1A1 (0.47) KMT2AGAAALDH1A1RAB9ANPC1
SCHEMBL7050105 0.85 SLC6A4 (0.48) ALDH1A3POLBKMT2ACYP1A2GAA
SCHEMBL10345446 0.82 NPC1 (0.54) KMT2ACYP1A2GAACYP2C19ALDH1A1
SCHEMBL23917765 0.79 PTGIR (0.51) ALDH1A3POLBKMT2ACYP1A2GAA
SCHEMBL1157764 0.79 ALDH1A3 (0.50) ALDH1A3POLBKMT2ACYP1A2GAA
SCHEMBL10778121 0.79 ALDH1A3 (0.43) ALDH1A3POLBKMT2ACYP1A2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0222343-B1 RECORDING MATERIAL FUJI PHOTO FILM CO., LTD. (JP) 1990-04-11 EP disclosed
US-4833121-A Heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 1989-05-23 US disclosed
US-4792542-A CONTAINING AN AROMATIC SULFIDE FUJI PHOTO FILM CO., LTD. (JP) 1988-12-20 US disclosed
EP-0222343-A2 Recording material FUJI PHOTO FILM CO., LTD. (JP) 1987-05-20 EP disclosed