SCHEMBL9868962

SCHEMBL9868962

O=C(O)c1c(CCOc2ccccc2)ccc2c1Cc1ccccc1O2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACSL1 P33121 1/20 0.39
PKM P14618 1/20 0.38
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
PTGER4 P35408 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.37
FFAR1 O14842 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
MAPT P10636 2/20 0.37
ALOX15 P16050 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KCNA3 P22001 1/20 0.36

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
SCHEMBL9806586 0.91 ACSL1 (0.36) ACSL1MAOBMAOAPTGER4SMN1; SMN2
SCHEMBL9778579 0.91 ACSL1 (0.36) ACSL1MAOBMAOAPTGER4SMN1; SMN2
SCHEMBL9869675 0.85 TRPA1 (0.39) SMN1; SMN2RAB9ANPC1TSHRMAPT
SCHEMBL9869663 0.84 MAOA (0.37) ACSL1MAOBMAOASMN1; SMN2TSHR
SCHEMBL4743622 0.82 PTGER2 (0.41) ACSL1PKMMAOBMAOA
SCHEMBL6679495 0.82 PTGS1 (0.44) ACSL1MAOBMAOASMN1; SMN2RAB9A
SCHEMBL2804823 0.82 MAOA (0.42) ACSL1MAOBMAOA
SCHEMBL2421075 0.81 MAOA (0.39) ACSL1PKMMAOBMAOA
SCHEMBL2313646 0.80 MAOA (0.46) ACSL1PKMMAOBMAOA
SCHEMBL11850413 0.80 BID (0.46) ACSL1MAOBMAOASMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5055211-A Lubricating oil containing a mixed ligand metal complex and a metal thiophosphate EXXON RESEARCH AND ENGINEERING COMPANY (US) 1991-10-08 US disclosed