SCHEMBL25396305

SCHEMBL25396305

CC1(C)c2ccccc2-c2cccc(-c3cccc(Cl)c3)c21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.48
PDK2 Q15119 3/20 0.48
TDP2 O95551 1/20 0.39
TDO2 P48775 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
AKR1A1 P14550 1/20 0.37
AKR1B1 P15121 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL28619405 0.88 PGR (0.42) PGRPDK2AKR1A1AKR1B1
SCHEMBL24279381 0.86 PDK2 (0.40) PGRPDK2TDP2
SCHEMBL24681743 0.84 PGR (0.47) PGRPDK2TDP2MEN1GAA
SCHEMBL16858252 0.83 PGR (0.45) PGRPDK2
SCHEMBL19299487 0.83 PDK2 (0.50) PGRPDK2TDP2TDO2ADORA2A
SCHEMBL30709023 0.82 PGR (0.41) PGRPDK2TDP2ADORA2AADORA1
SCHEMBL706442 0.82 ALDH1A1 (0.41) PGRPDK2
SCHEMBL29919652 0.82 ALDH1A1 (0.41) PGRPDK2
SCHEMBL30084636 0.82 ALDH1A1 (0.41) PGRPDK2
SCHEMBL24969167 0.82 PDK2 (0.43) PGRPDK2MEN1KMT2A

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-20230301177-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCENT ELEMENT, ORGANIC ELECTROLUMINESCENCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-09-21 US disclosed
US-20230301177-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCENT ELEMENT, ORGANIC ELECTROLUMINESCENCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-09-21 US disclosed
US-20230301177-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCENT ELEMENT, ORGANIC ELECTROLUMINESCENCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-09-21 US disclosed