SCHEMBL11227334

SCHEMBL11227334

CCCCCCCCC(COc1ccccc1)OCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.45
ALDH1A1 P00352 3/20 0.45
RECQL P46063 1/20 0.45
MLNR O43193 1/20 0.43
NR1I2 O75469 1/20 0.43
ESR1 P03372 1/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
ADRB2 P07550 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL6554479 1.00 LTA4H (0.45) LTA4HALDH1A1RECQLMLNRNR1I2
SCHEMBL8852279 0.90 LTA4H (0.53) LTA4HALDH1A1MLNRNR1I2ESR1
SCHEMBL7783600 0.90 LTA4H (0.53) LTA4HALDH1A1MLNRNR1I2ESR1
SCHEMBL6554541 0.88 ALDH1A1 (0.50) LTA4HALDH1A1RECQLMLNRNR1I2
SCHEMBL29093210 0.85 LTA4H (0.46) LTA4HALDH1A1MLNRNR1I2ESR1
Methacrylic Acid SCHEMBL9189593 0.82 PLA2G4B (0.48) PLA2G2APLA2G4BPLA2G10PLA2G1BPLA2G5
SCHEMBL7124634 0.82 LTA4H (0.50) LTA4HALDH1A1MLNRNR1I2ESR1
SCHEMBL28741361 0.82 LTA4H (0.50) LTA4HALDH1A1MLNRNR1I2ESR1
SCHEMBL8032383 0.81 LTA4H (0.47) LTA4HALDH1A1MLNRNR1I2ESR1
SCHEMBL29184943 0.80 PLA2G2A (0.54) LTA4HLMNAPLA2G2APLA2G4BPLA2G10

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-4357159-A Haloethylthienylsulphonates for the regulation of plant metabolism CIBA-GEIGY CORPORATION (US) 1982-11-02 US disclosed
US-4149873-A Composition for the regulation of plant metabolism CIBA-GEIGY CORPORATION (US) 1979-04-17 US disclosed