SCHEMBL8196274

SCHEMBL8196274

CCc1c(C)c(CC)c(C(=O)O)c(CC)c1CC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
HCAR2 Q8TDS4 1/20 0.34
LMNA P02545 1/20 0.33
LDHA P00338 3/20 0.33
LDHB P07195 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.31
USP2 O75604 1/20 0.31
NOTUM Q6P988 1/20 0.30
ABCC1 P33527 1/20 0.30
BRD4 O60885 1/20 0.30
BRPF1 P55201 1/20 0.30
EP300 Q09472 1/20 0.30
CREBBP Q92793 1/20 0.30
MEN1 O00255 1/20 0.30
PRNP P04156 1/20 0.30
TP53 P04637 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL28939249 0.91 ALDH1A1 (0.37) ALDH1A1HCAR2LMNALDHALDHB
SCHEMBL27932259 0.86 ALDH1A1 (0.37) ALDH1A1HCAR2LMNALDHALDHB
SCHEMBL29180339 0.83 ALDH1A1 (0.38) ALDH1A1HCAR2LMNALDHALDHB
SCHEMBL29150788 0.83 ALDH1A1 (0.37) ALDH1A1HCAR2LMNALDHALDHB
SCHEMBL29614893 0.80 ALDH1A1 (0.36) ALDH1A1HCAR2LDHALDHBCYP1A2
SCHEMBL6014064 0.80 ALDH1A1 (0.36) ALDH1A1HCAR2LDHALDHBCYP1A2
SCHEMBL14989322 0.80 ALDH1A1 (0.36) ALDH1A1HCAR2LDHALDHBCYP1A2
SCHEMBL1009054 0.80 ALDH1A1 (0.39) ALDH1A1HCAR2LDHALDHBCYP1A2
SCHEMBL13343473 0.79 ALDH1A1 (0.36) ALDH1A1HCAR2LMNALDHALDHB
SCHEMBL28928804 0.78 FASN (0.38) ALDH1A1HCAR2LMNALDHALDHB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6022519-A Method of manufacturing crystalline microporous material KUBOTO CORPORATION (JP) 2000-02-08 US disclosed
EP-0773190-B1 PROCESS FOR PRODUCING CRYSTALLINE MICROPOROUS BODY KUBOTA KK (JP) 1999-06-30 EP disclosed
EP-0773190-A1 PROCESS FOR PRODUCING CRYSTALLINE MICROPOROUS BODY Kubota Corporation (JP) 1997-05-14 EP disclosed