SCHEMBL9302860

SCHEMBL9302860

OCCOC=CC=Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.54
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TRPA1 O75762 1/20 0.42
LMNA P02545 1/20 0.42
ALOX5 P09917 1/20 0.42
MAPK1 P28482 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42

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
SCHEMBL1891350 0.88 ALDH1A1 (0.43) MAOBALDH1A1TRPA1LMNAHDAC3
SCHEMBL2095393 0.81 MAOB (0.54) MAOBHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL2095391 0.81 MAOB (0.54) MAOBHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL25430836 0.78 MEN1 (0.40) MAOBALDH1A1LMNAMAPK1HDAC3
SCHEMBL7060730 0.78 MEN1 (0.40) MAOBALDH1A1LMNAMAPK1HDAC3
SCHEMBL7058227 0.78 MEN1 (0.40) MAOBALDH1A1LMNAMAPK1HDAC3
SCHEMBL455782 0.76 MAOB (0.58) MAOBHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL790516 0.75 ALDH1A1 (0.46) MAOBALDH1A1RECQLIDO1PAM
SCHEMBL13686299 0.74 MAOB (0.48) MAOBALDH1A1TRPA1LMNAALOX5
SCHEMBL3718993 0.74 PPARA (0.41) MAOB

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-5360787-A Dispersant compositions comprising sulfonated isobutylene maleic anhydride copolymer for subterranean well drilling and completion ATLANTIC RICHFIELD COMPANY (US) 1994-11-01 US disclosed