SCHEMBL8066008

SCHEMBL8066008

C=C(CCC=C(C)CCC=C(C)CCC=C(C)C)C(=O)OCCO

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SQLE Q14534 5/20 0.50
ALOX15 P16050 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
CYP3A4 P08684 2/20 0.47
UGT1A1 P22309 1/20 0.47
FNTA P49354 2/20 0.44
FNTB P49356 2/20 0.44
ICMT O60725 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
SCHEMBL8068621 1.00 SQLE (0.50) SQLEALOX15ALDH1A1KMT2AMAPT
SCHEMBL8102705 1.00 SQLE (0.50) SQLEALOX15ALDH1A1KMT2AMAPT
SCHEMBL8100655 1.00 SQLE (0.50) SQLEALOX15ALDH1A1KMT2AMAPT
SCHEMBL7561321 0.94 ALOX15 (0.42) SQLEALOX15ALDH1A1KMT2AMAPT
SCHEMBL7586188 0.87 ALDH1A1 (0.47) SQLEALOX15ALDH1A1KMT2AMAPT
SCHEMBL7562722 0.87 ALDH1A1 (0.47) SQLEALOX15ALDH1A1KMT2AMAPT
SCHEMBL8100643 0.87 ALDH1A1 (0.47) SQLEALOX15ALDH1A1KMT2AMAPT
SCHEMBL8100804 0.87 ALDH1A1 (0.47) SQLEALOX15ALDH1A1KMT2AMAPT
SCHEMBL7560775 0.84 ALOX15 (0.51) SQLEALOX15ALDH1A1KMT2AMAPT
SCHEMBL7582869 0.84 ALOX15 (0.51) SQLEALOX15ALDH1A1KMT2AMAPT

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-6136986-A REACTING SUBSTITUTED ACROLEIN COMPOUND WITH ACRYLATES, ACROLEINS, ACROLEIN ACETALS, ALLYL ALCOHOLS OR ALLYL ETHERS TO GIVE 3,4-DIHYDRO-2H-PYRANS, REACTING WITH ACID, FOLLOWED BY REACTING WITH SUBSTITUETED VINYL KETONE, DEHYDROGENATION BASF AKTIENGESELLSCHAFT (DE) 2000-10-24 US disclosed
EP-1013652-A2 Process for preparation of substituted chromanderivatives BASF AKTIENGESELLSCHAFT (DE) 2000-06-28 EP disclosed