SCHEMBL7566818

SCHEMBL7566818

C=C(CCC=C(C)CCC=C(C)C)C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 2/20 0.50
FNTA P49354 5/20 0.49
FNTB P49356 5/20 0.49
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
UGT1A1 P22309 1/20 0.48
SQLE Q14534 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL7589850 1.00 KMT2A (0.53) KMT2AALDH1A1ALOX15FNTAFNTB
SCHEMBL8103041 1.00 KMT2A (0.53) KMT2AALDH1A1ALOX15FNTAFNTB
SCHEMBL8106737 1.00 KMT2A (0.53) KMT2AALDH1A1ALOX15FNTAFNTB
SCHEMBL7565263 0.93 TSHR (0.45) KMT2AALDH1A1ALOX15FNTAFNTB
SCHEMBL22558000 0.88 KMT2A (0.38) KMT2AALDH1A1ALOX15FNTAFNTB
SCHEMBL9323493 0.88 ALOX15 (0.49) KMT2AALDH1A1ALOX15FNTAFNTB
SCHEMBL4023754 0.84 MAPT (0.62) KMT2AALDH1A1ALOX15FNTAFNTB
SCHEMBL7582869 0.83 ALOX15 (0.51) KMT2AALDH1A1ALOX15FNTAFNTB
SCHEMBL8106652 0.83 ALOX15 (0.51) KMT2AALDH1A1ALOX15FNTAFNTB
SCHEMBL7560775 0.83 ALOX15 (0.51) KMT2AALDH1A1ALOX15FNTAFNTB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1013652-B1 Process for preparation of substituted chromanderivatives BASF AG (DE) 2002-08-14 EP disclosed
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