SCHEMBL9827162

SCHEMBL9827162

CC(C)Oc1c(C(=O)O)oc(-c2ccccc2)c1OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RXRA P19793 2/20 0.40
RXRB P28702 1/20 0.40
ABCB1 P08183 3/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 4/20 0.38
PKM P14618 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDCD1 Q15116 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
SCHEMBL9825828 0.87 PTGS1 (0.43) KDM4EALDH1A1HPGDHSD17B10ABCB1
SCHEMBL9826693 0.79 CYP1A2 (0.42) KDM4EALDH1A1HPGDHSD17B10RXRA
SCHEMBL10871213 0.79 EDNRA (0.42) KDM4EALDH1A1HPGDHSD17B10RXRA
SCHEMBL9434157 0.78 KDM4E (0.44) KDM4EALDH1A1HSD17B10KMT2AMAPT
SCHEMBL9826523 0.75 ADCY1 (0.39) KDM4EALDH1A1HSD17B10ABCB1KMT2A
SCHEMBL9432934 0.75 RXRA (0.47) KDM4EALDH1A1HPGDHSD17B10RXRA
SCHEMBL10372179 0.75 PPARG (0.40) KDM4EALDH1A1HPGDHSD17B10RXRA
SCHEMBL9826187 0.73 KMT2A (0.36) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL30558214 0.71 ABCG2 (0.70) KDM4EALDH1A1HPGDHSD17B10ABCB1
SCHEMBL18932159 0.71 ABCG2 (0.70) KDM4EALDH1A1HPGDHSD17B10ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0249236-B1 N-1H-TETRAZOL-5-YL-(5-RING)-CARBOXAMIDE-DERIVATIVES, A PROCESS FOR THEIR MANUFACTURE, AND THE USE THEREOF WARNER-LAMBERT COMPANY (US) 1991-04-24 EP disclosed
US-4824958-A Process for the preparation of n-1H-tetrazol-5-yl-2-pyrrole carboxamides WARNER-LAMBERT COMPANY (US) 1989-04-25 US disclosed
US-4748183-A N-1H-tetrazol-5-yl-2-thiophene carboxamides, N-1H-tetrazol-5-yl-2-pyrrole carboxamides, N-1H-tetrazol-5-yl-2-furan carboxamides, and anti-allergic and anti-inflammatory use thereof WARNER-LAMBERT COMPANY (US) 1988-05-31 US disclosed
EP-0249236-A1 N-1H-Tetrazol-5-yl-(5-Ring)-carboxamide-derivatives, a process for their manufacture, and the use thereof WARNER-LAMBERT COMPANY (US) 1987-12-16 EP disclosed