SCHEMBL3948580

SCHEMBL3948580

CC/C(C)=C/CC/C(C)=C/CCC(C)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.43
KDM1A O60341 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
ALDH1A1 P00352 1/20 0.41
UGT1A1 P22309 1/20 0.41
SQLE Q14534 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38

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
SCHEMBL3948582 1.00 KMT2A (0.45) KMT2AKDM4EKDM1AMAPTMEN1
SCHEMBL11546011 0.92 ALOX15 (0.35) KMT2AKDM4EKDM1AALOX15ALDH1A1
SCHEMBL11546006 0.92 ALOX15 (0.35) KMT2AKDM4EKDM1AALOX15ALDH1A1
SCHEMBL8978505 0.86 KMT2A (0.64) KMT2AKDM4EMAPTMEN1CYP3A4
SCHEMBL2495543 0.86 KMT2A (0.64) KMT2AKDM4EMAPTMEN1CYP3A4
SCHEMBL8978471 0.86 KMT2A (0.64) KMT2AKDM4EMAPTMEN1CYP3A4
SCHEMBL2495546 0.86 KMT2A (0.64) KMT2AKDM4EMAPTMEN1CYP3A4
SCHEMBL2496380 0.86 KMT2A (0.64) KMT2AKDM4EMAPTMEN1CYP3A4
SCHEMBL2496377 0.86 KMT2A (0.64) KMT2AKDM4EMAPTMEN1CYP3A4
SCHEMBL871914 0.86 KMT2A (0.64) KMT2AKDM4EMAPTMEN1CYP3A4

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
US-7544647-B1 Aldehydes and derivatives for fragrance use INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-06-09 US disclosed
US-7544647-B1 Aldehydes and derivatives for fragrance use INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-06-09 US disclosed
US-7544647-B1 Aldehydes and derivatives for fragrance use INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-06-09 US disclosed