SCHEMBL10800307

SCHEMBL10800307

O=C(CC(=O)OCc1ccccc1Br)OCc1ccccc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MAPT P10636 3/20 0.54
KMT2A Q03164 3/20 0.54
RAB9A P51151 2/20 0.54
POLB P06746 1/20 0.54
PKM P14618 1/20 0.54
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP12 P39900 1/20 0.53
IDO1 P14902 2/20 0.52
PARP10 Q53GL7 1/20 0.49
NPC1 O15118 1/20 0.47
FFAR4 Q5NUL3 2/20 0.45
FFAR1 O14842 1/20 0.45
TSHR P16473 1/20 0.45
RIPK1 Q13546 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL27787123 0.92 ALDH1A1 (0.56) ALDH1A1MAPTKMT2ARAB9APOLB
SCHEMBL10800311 0.91 ALDH1A1 (0.52) ALDH1A1MAPTKMT2ARAB9APOLB
SCHEMBL20954406 0.90 MAPT (0.56) ALDH1A1MAPTKMT2ARAB9APOLB
SCHEMBL8979685 0.85 ALDH1A1 (0.48) ALDH1A1MAPTKMT2ARAB9APOLB
SCHEMBL28124129 0.85 ALDH1A1 (0.53) ALDH1A1MAPTKMT2ARAB9APOLB
SCHEMBL15278891 0.85 ALDH1A1 (0.50) ALDH1A1MAPTKMT2ARAB9APOLB
SCHEMBL7765576 0.84 MAPT (0.56) ALDH1A1MAPTKMT2ARAB9APOLB
SCHEMBL6702870 0.82 MMP1 (0.54) ALDH1A1MAPTKMT2ARAB9APOLB
SCHEMBL7760184 0.82 ALDH1A1 (0.56) ALDH1A1MAPTKMT2ARAB9APOLB
SCHEMBL30429390 0.82 ALDH1A1 (0.56) ALDH1A1MAPTKMT2ARAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110845546-A Substituted metallocene catalysts 埃克森美孚化学专利公司 2020-02-28 CN disclosed
EP-0195097-B1 ARACHIDONIC ACID ANALOGUES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN MEDICINE BEECHAM GROUP PLC (GB) 1987-10-28 EP disclosed
EP-0142145-B1 ARACHIDONIC ACID ANALOGUES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN MEDICINE BEECHAM GROUP PLC (GB) 1987-03-04 EP disclosed
EP-0195097-A1 Arachidonic acid analogues, processes for their preparation and their use in medicine BEECHAM GROUP PLC (GB) 1986-09-24 EP disclosed
EP-0142145-A2 Arachidonic acid analogues, processes for their preparation and their use in medicine BEECHAM GROUP PLC (GB) 1985-05-22 EP disclosed