SCHEMBL9874009

SCHEMBL9874009

CCCOc1ccccc1OC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
GLA P06280 1/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
HIF1A Q16665 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 5/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
NLRP1 Q9C000 1/20 0.46
NR1I2 O75469 1/20 0.45
CHRM2 P08172 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADRA2A P08913 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL6575498 0.91 CYP1A2 (0.53) LMNAL3MBTL1GLAKMT2AMEN1
SCHEMBL898712 0.89 LMNA (0.58) LMNAKMT2AMEN1MAPTALDH1A1
Butane SCHEMBL1395551 0.86 KDM4E (0.47) LMNAL3MBTL1GLAKMT2AMEN1
SCHEMBL9873999 0.85 NPC1 (0.48) LMNAL3MBTL1GLAKMT2AMEN1
SCHEMBL10962581 0.84 NPC1 (0.50) LMNAL3MBTL1GLAKMT2AMEN1
SCHEMBL8084797 0.84 NPC1 (0.47) LMNAL3MBTL1GLAKMT2AMEN1
SCHEMBL6577955 0.83 KMT2A (0.47) LMNAL3MBTL1GLAKMT2AMEN1
1,2-Dipropoxybenzene SCHEMBL578657 0.82 CYP1A2 (0.56) LMNAL3MBTL1KMT2AMEN1NPC1
1,2-Dipropoxybenzene SCHEMBL29428926 0.82 CYP1A2 (0.56) LMNAL3MBTL1KMT2AMEN1NPC1
SCHEMBL28027916 0.81 L3MBTL1 (0.73) LMNAL3MBTL1GLAKMT2AMEN1

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
US-4983609-A Anticancer agents OTSUKA PHARMACEUTICAL (JP) 1991-01-08 US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed