SCHEMBL7534664

SCHEMBL7534664

Cc1cc(OCC(=O)O)c2c3c(c(=O)oc2c1)CCCC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 1.00
ALDH1A1 P00352 11/20 1.00
HSD17B10 Q99714 10/20 1.00
HPGD P15428 8/20 1.00
TSHR P16473 5/20 0.79
NPSR1 Q6W5P4 5/20 0.74
MEN1 O00255 4/20 0.74
KMT2A Q03164 4/20 0.74
POLB P06746 2/20 0.74
CYP1A2 P05177 1/20 0.74
CYP3A4 P08684 1/20 0.74
CYP2C9 P11712 1/20 0.74
CASP1 P29466 1/20 0.74
CYP2C19 P33261 1/20 0.74
RXFP1 Q9HBX9 2/20 0.73
MAPT P10636 3/20 0.69
LMNA P02545 1/20 0.67
PLA2G1B P04054 1/20 0.67
ATG4B Q9Y4P1 1/20 0.67
ALOX15 P16050 1/20 0.62

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
Formaldehyde SCHEMBL10772593 0.89 KDM4E (0.80) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL17211772 0.86 ALDH1A1 (0.76) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL10729006 0.85 ALDH1A1 (0.74) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL17211701 0.84 ALDH1A1 (0.72) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL10765283 0.83 RXFP1 (0.73) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL10503997 0.81 RXFP1 (0.73) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL10505214 0.80 RXFP1 (0.69) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL10503688 0.79 RXFP1 (0.67) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL10726238 0.78 RXFP1 (0.65) KDM4EALDH1A1HSD17B10HPGDTSHR
Hydrochloric Acid SCHEMBL10506951 0.76 RXFP1 (0.62) KDM4EALDH1A1HSD17B10HPGDTSHR

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
WO-2002028183-A1 FUNGICIDES SYNGENTA LIMITED (GB) 2002-04-11 WO disclosed