SCHEMBL22490636

SCHEMBL22490636

C/C(=C/CC/C(C)=C/C=CO)CCCC(C)C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.58
PTPN1 P18031 2/20 0.47
SQLE Q14534 4/20 0.40
KMT2A Q03164 2/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
PGR P06401 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
UGT1A1 P22309 1/20 0.35

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
SCHEMBL22490635 1.00 KDM1A (0.58) KDM1APTPN1SQLEKMT2ANR1I2
SCHEMBL2835870 0.87 KDM1A (0.58) KDM1APTPN1SQLEKMT2ANR1I2
SCHEMBL2579524 0.84 KDM1A (0.71) KDM1APTPN1SQLEKMT2AMAPT
SCHEMBL2832173 0.83 NR1I2 (0.61) KDM1APTPN1SQLEKMT2ANR1I2
SCHEMBL10741827 0.83 KDM1A (0.61) KDM1APTPN1SQLENR1I2LMNA
SCHEMBL10741830 0.83 KDM1A (0.61) KDM1APTPN1SQLENR1I2LMNA
SCHEMBL6907667 0.81 KDM1A (0.59) KDM1APTPN1SQLEKMT2AMAPT
SCHEMBL8735440 0.81 KDM1A (0.64) KDM1APTPN1SQLEKMT2AALDH1A1
SCHEMBL6907669 0.81 KDM1A (0.59) KDM1APTPN1SQLEKMT2AMAPT
SCHEMBL29663830 0.81 KDM1A (0.64) KDM1APTPN1SQLEKMT2AALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286308-B1 ENZYMES AND APPLICATIONS THEREOF GIVAUDAN SA (CH) 2020-10-07 EP disclosed