SCHEMBL9826693

SCHEMBL9826693

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
PTGDR Q13258 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
PARP10 Q53GL7 1/20 0.31
CXCR5 P32302 2/20 0.30
ABCB1 P08183 1/20 0.30

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
SCHEMBL9826187 0.88 KMT2A (0.36) CYP1A2KMT2AALDH1A1MEN1KDM4E
SCHEMBL9827162 0.79 KDM4E (0.41) CYP1A2KMT2AALDH1A1MEN1KDM4E
SCHEMBL9434157 0.75 KDM4E (0.44) KMT2AALDH1A1KDM4ETP53CYP2C9
SCHEMBL28353288 0.70 CYP1A2 (0.50) CYP1A2KMT2AALDH1A1MEN1KDM4E
SCHEMBL9826180 0.69 ALDH1A1 (0.40) KMT2AALDH1A1MEN1KDM4ETP53
SCHEMBL9434171 0.66 KMT2A (0.40) KMT2AALDH1A1MEN1KDM4ETP53
SCHEMBL9988559 0.64 KMT2A (0.50) KMT2AALDH1A1RXRARXRB
SCHEMBL1458531 0.64 KMT2A (0.50) KMT2AALDH1A1KDM4ERXRARXRB
SCHEMBL1356879 0.64 CYP1A2 (0.55) CYP1A2KMT2AALDH1A1MEN1KDM4E
SCHEMBL28353415 0.64 CYP1A2 (0.42) CYP1A2KMT2AALDH1A1MEN1CYP2C9

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