SCHEMBL9847763

SCHEMBL9847763

CC(C)(C)c1cc(Oc2ccccc2C(=O)O)c(C(C)(C)C)cc1Oc1ccccc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
KDM4E B2RXH2 9/20 0.50
ALDH1A1 P00352 7/20 0.50
HSD17B10 Q99714 6/20 0.50
HPGD P15428 6/20 0.50
TDP1 Q9NUW8 2/20 0.50
ESR1 P03372 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
HMGB1 P09429 1/20 0.50
TSHR P16473 1/20 0.50
GGT1 P19440 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
BLM P54132 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
CCR2 P41597 2/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL5399393 0.88 HTT (0.62) HTTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL8687542 0.86 HTT (0.53) HTTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL9847773 0.86 HTT (0.44) HTTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL9261996 0.84 HTT (0.50) HTTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL446113 0.82 HTT (0.77) HTTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL29682980 0.82 HTT (0.77) HTTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL8432658 0.81 HTT (0.50) HTTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL8332488 0.80 HTT (0.46) HTTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL8434168 0.80 HTT (0.81) HTTKDM4EALDH1A1HSD17B10HPGD
Hydrochloric Acid SCHEMBL9633469 0.80 HTT (0.74) HTTKDM4EALDH1A1HSD17B10HPGD

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-0413415-A1 Carboxylic acids and derivates thereof The British Petroleum Company p.l.c. (GB) 1991-02-20 EP disclosed