SCHEMBL8015501

SCHEMBL8015501

C=C(C)c1ccccc1.[PoH2]

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.46
CES1 P23141 4/20 0.46
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
XBP1 P17861 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
ALOX12 P18054 1/20 0.40
ACHE P22303 1/20 0.40
ELANE P08246 1/20 0.39
ESR1 P03372 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL2905282 0.97
SCHEMBL472891 0.97 CES2 (0.48) CES2CES1LMNAMAPTMEN1
Benzene SCHEMBL28197619 0.97 CES2 (0.48) CES2CES1LMNAMAPTMEN1
SCHEMBL1331472 0.97
SCHEMBL6577 0.97
SCHEMBL3267692 0.97 CES2 (0.48) CES2CES1LMNAMAPTMEN1
Hydrogen Peroxide SCHEMBL7249472 0.97 CES2 (0.48) CES2CES1LMNAMAPTMEN1
Bromide SCHEMBL9861497 0.94 CES2 (0.46) CES2CES1LMNAMAPTMEN1
Water SCHEMBL6684506 0.94 CES2 (0.46) CES2CES1LMNAMAPTMEN1
SCHEMBL11713491 0.94 CES2 (0.46) CES2CES1LMNAMAPTMEN1

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-6040382-A POLYMODAL MONOVINYL AROMATIC-CONJUGATED DIENE BLOCK COPOLYMER; STYRENE-MALEIC ANHYDRIDE COPOLYMER; POLY(ALPHA-METHYLSTYRENE) PHILLIPS PETROLEUM COMPANY (US) 2000-03-21 US claimed