SCHEMBL7586426

SCHEMBL7586426

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

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
FNTA P49354 5/20 0.58
FNTB P49356 5/20 0.58
KDM4E B2RXH2 1/20 0.55
ATM Q13315 1/20 0.55
MAPT P10636 3/20 0.53
MEN1 O00255 3/20 0.53
ALOX15 P16050 3/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 2/20 0.53
UGT1A1 P22309 1/20 0.53
TRPA1 O75762 1/20 0.53
SQLE Q14534 2/20 0.52

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
SCHEMBL7563416 1.00 KMT2A (0.59) KMT2AFNTAFNTBKDM4EATM
SCHEMBL1155187 1.00 KMT2A (0.59) KMT2AFNTAFNTBKDM4EATM
SCHEMBL1155126 1.00 KMT2A (0.59) KMT2AFNTAFNTBKDM4EATM
SCHEMBL7586419 1.00 KMT2A (0.59) KMT2AFNTAFNTBKDM4EATM
SCHEMBL3018424 0.92 KDM4E (0.52) KMT2AFNTAFNTBKDM4EATM
SCHEMBL16428263 0.89 FNTA (0.57) KMT2AFNTAFNTBKDM4EATM
SCHEMBL16428261 0.89 FNTA (0.57) KMT2AFNTAFNTBKDM4EATM
SCHEMBL5703340 0.87 FNTA (0.48) KMT2AFNTAFNTBKDM4EATM
SCHEMBL16428593 0.87 FNTA (0.54) KMT2AFNTAFNTBKDM4EATM
SCHEMBL16428591 0.87 FNTA (0.54) KMT2AFNTAFNTBKDM4EATM

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