SCHEMBL7567877

SCHEMBL7567877

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 2/20 0.45
KMT2A Q03164 2/20 0.43
SQLE Q14534 1/20 0.43
GGPS1 O95749 4/20 0.41
CBLB Q13191 1/20 0.41
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
UGT1A1 P22309 1/20 0.40

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
SCHEMBL8108789 1.00 ALDH1A1 (0.45) ALDH1A1ALOX15KMT2ASQLEGGPS1
SCHEMBL7584379 1.00 ALDH1A1 (0.45) ALDH1A1ALOX15KMT2ASQLEGGPS1
SCHEMBL8106453 1.00 ALDH1A1 (0.45) ALDH1A1ALOX15KMT2ASQLEGGPS1
SCHEMBL7561935 0.94 CHRM2 (0.41) ALDH1A1ALOX15SQLEGGPS1CBLB
SCHEMBL8066008 0.84 SQLE (0.50) ALDH1A1ALOX15KMT2ASQLEFNTA
SCHEMBL8068621 0.84 SQLE (0.50) ALDH1A1ALOX15KMT2ASQLEFNTA
SCHEMBL8100655 0.84 SQLE (0.50) ALDH1A1ALOX15KMT2ASQLEFNTA
SCHEMBL8102705 0.84 SQLE (0.50) ALDH1A1ALOX15KMT2ASQLEFNTA
SCHEMBL8100804 0.83 ALDH1A1 (0.47) ALDH1A1ALOX15KMT2ASQLEFNTA
SCHEMBL8100643 0.83 ALDH1A1 (0.47) ALDH1A1ALOX15KMT2ASQLEFNTA

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