SCHEMBL9635162

SCHEMBL9635162

[CH2]CCCC=C(C)CCC=C(C)C

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.67
MAPT P10636 2/20 0.59
MEN1 O00255 2/20 0.59
CYP3A4 P08684 2/20 0.59
ALOX15 P16050 2/20 0.59
ALDH1A1 P00352 1/20 0.59
UGT1A1 P22309 1/20 0.59
SQLE Q14534 7/20 0.59
KDM4E B2RXH2 1/20 0.59

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
SCHEMBL9635159 1.00 KMT2A (0.67) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11512632 0.94 KMT2A (0.64) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8850002 0.86 KMT2A (0.73) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11290924 0.86 KMT2A (0.73) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL23581543 0.86 KMT2A (0.73) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL605282 0.86
SCHEMBL20582749 0.84 KMT2A (0.77) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL2359402 0.84 KMT2A (0.77) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL701611 0.82 KMT2A (0.73) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL23452103 0.82 KMT2A (0.73) KMT2AMAPTMEN1CYP3A4ALOX15

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-0315913-B1 ANTISEBORRHOIC TOPICAL COMPOSITIONS Henkel Kommanditgesellschaft auf Aktien (DE) 1992-06-10 EP claimed
US-4939171-A Alkyl and alkenyl aryl ether derivatives; cosmetics HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-07-03 US claimed
EP-0315913-A1 Antiseborrhoic topical compositions Henkel Kommanditgesellschaft auf Aktien (DE) 1989-05-17 EP claimed