SCHEMBL10713325

SCHEMBL10713325

CCCCCC(CC)c1ccc2ccc(O)cc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 8/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ ALOX5 P09917 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ GPBAR1 Q8TDU6 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ GMNN O75496 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38

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
SCHEMBL10716084 0.85 LTB4R (0.35) LTB4RMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL29045598 0.83 ESR1 (0.40) MEN1KMT2ACYP3A4ALDH1A1MAPK1
SCHEMBL30749411 0.76 NR1I2 (0.36) LTB4RSMN1; SMN2TDP1NR1I2KDM4E
SCHEMBL10778962 0.73 LTB4R (0.53) LTB4RMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL23823161 0.72 NR1I2 (0.42) LTB4RNR1I2
SCHEMBL24805768 0.72 GPR84 (0.43) CYP3A4PTGS2NR1I2
SCHEMBL22068259 0.71 TYR (0.47) MEN1KMT2ACYP3A4ALDH1A1TP53
SCHEMBL29566641 0.70 NR1I2 (0.34) NR1I2
SCHEMBL3698082 0.70 NR1I2 (0.57) CYP3A4ALDH1A1TP53CYP1A2CYP2C9
SCHEMBL29982334 0.69 ALDH1A1 (0.44) MEN1KMT2ACYP3A4ALDH1A1MAPK1

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
EP-0289394-A2 Process for the purification of a barium salt RHONE-POULENC CHIMIE (FR) 1988-11-02 — — EP disclosed
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