SCHEMBL7583169

SCHEMBL7583169

C=C(CCC=C(C)CCC=C(C)CCC=C(C)C)COCC

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
SQLE Q14534 7/20 0.50
ALOX15 P16050 4/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
CYP3A4 P08684 2/20 0.48
ALDH1A1 P00352 2/20 0.48
UGT1A1 P22309 1/20 0.48
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL7561867 1.00 KMT2A (0.53) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL7583163 1.00 KMT2A (0.53) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL7561865 1.00 KMT2A (0.53) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL7561754 0.93 TSHR (0.45) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL7560731 0.82 KMT2A (0.57) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL7589684 0.82 KMT2A (0.57) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL7589678 0.82 KMT2A (0.57) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL7560733 0.82 KMT2A (0.57) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL28588501 0.80 KMT2A (0.64) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL29462483 0.80 KMT2A (0.64) KMT2ASQLEALOX15MAPTMEN1

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