SCHEMBL29018002

SCHEMBL29018002

CCc1ccc(OP(=O)(Oc2ccc(CC)cc2)Oc2ccc(C(C)C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
CYP2C19 P33261 1/20 0.53
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
IDO1 P14902 2/20 0.42
POLB P06746 3/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 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
SCHEMBL1413702 0.87 SMN1; SMN2 (0.66) SMN1; SMN2CYP2C19TSHRCYP3A4RAB9A
SCHEMBL36617 0.87 CYP3A4 (0.58) SMN1; SMN2TSHRCYP3A4NPC1RAB9A
Ammonia Solution, Strong SCHEMBL28062806 0.85 CYP3A4 (0.56) SMN1; SMN2TSHRCYP3A4NPC1RAB9A
SCHEMBL29165639 0.83 SMN1; SMN2 (0.45) SMN1; SMN2CYP2C19NPC1RAB9AALDH1A1
SCHEMBL28391672 0.82 CYP3A4 (0.47) SMN1; SMN2TSHRCYP3A4NPC1RAB9A
SCHEMBL28642967 0.82 SMN1; SMN2 (0.59) SMN1; SMN2CYP2C19TSHRCYP3A4RAB9A
SCHEMBL28395895 0.81 CA2 (0.57) SMN1; SMN2TSHRCYP3A4NPC1RAB9A
SCHEMBL1958568 0.80 CYP2C19 (0.58) SMN1; SMN2CYP2C19TSHRCYP3A4RAB9A
SCHEMBL31169494 0.80 CYP3A4 (0.73) SMN1; SMN2TSHRCYP3A4ALDH1A1POLB
SCHEMBL380836 0.80 CYP2C19 (0.58) SMN1; SMN2CYP2C19TSHRCYP3A4RAB9A

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
CN-113929797-B Solid catalyst component and catalyst system for producing polymers 中国石油化工股份有限公司 2023-07-21 CN disclosed
CN-113929799-B Catalyst component for olefin polymerization, catalyst system and use 中国石油化工股份有限公司 2023-05-09 CN disclosed
CN-114085301-B Solid catalyst component for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2023-05-09 CN disclosed