SCHEMBL10554265

SCHEMBL10554265

c1ccc(CC(Oc2ccccc2)(Oc2ccccc2)Oc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HIF1A Q16665 1/20 0.39
TSHR P16473 2/20 0.39
MAOB P27338 2/20 0.38
LTA4H P09960 2/20 0.38
FDPS P14324 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAOA P21397 1/20 0.38
RAB9A P51151 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
SCHEMBL11780925 0.80 PPARG (0.43) PPARGPPARASMN1; SMN2HIF1ALTA4H
SCHEMBL14461582 0.77 SLC6A2 (0.56) SLC6A2TAAR1PPARGPPARACYP1A2
SCHEMBL1357067 0.76 PPARG (0.50) SLC6A2TAAR1PPARGPPARACYP1A2
SCHEMBL11784473 0.74 TSHR (0.43) SLC6A2PPARGCYP1A2CYP2C19LMNA
SCHEMBL1357068 0.74 PPARG (0.49) SLC6A2TAAR1PPARGPPARACYP1A2
SCHEMBL6670077 0.73 ALDH1A1 (0.44) TAAR1PPARGPPARACYP2C9CYP2C19
SCHEMBL5088767 0.73 SLC6A2 (0.50) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL5031081 0.73 LTA4H (0.39) TAAR1CYP2C9CYP2C19LMNATSHR
SCHEMBL30462272 0.73 CYP2C9 (0.53) SLC6A2TAAR1PPARGPPARACYP1A2
SCHEMBL28381133 0.71 KCNA3 (0.48) TAAR1CYP2C9CYP2C19LMNATSHR

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-4839352-A ANTIBIOTICS MERCK & CO., INC. (US) 1989-06-13 US claimed