SCHEMBL25219425

SCHEMBL25219425

CCCCS(=O)(=O)Nc1ccccc1C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KCNK3 O14649 1/20 0.53
KCNK9 Q9NPC2 1/20 0.53
TSHR P16473 2/20 0.53
KDM4E B2RXH2 3/20 0.51
POLB P06746 1/20 0.51
ATM Q13315 1/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.50
GAA P10253 1/20 0.50
MRGPRX1 Q96LB2 1/20 0.49
KCNA5 P22460 1/20 0.49
GLA P06280 1/20 0.49

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
SCHEMBL22861877 0.94 CYP1A2 (0.53) CYP1A2CYP2C19SMN1; SMN2
SCHEMBL25218063 0.88 ALDH1A1 (0.56) CYP1A2CYP2C19SMN1; SMN2KCNK3KCNK9
SCHEMBL25225086 0.88 TSHR (0.61) CYP1A2CYP2C19SMN1; SMN2KCNK3KCNK9
SCHEMBL16569786 0.86 KDM4E (0.66) CYP1A2CYP2C19SMN1; SMN2TSHRKDM4E
SCHEMBL13743071 0.85
SCHEMBL14199550 0.84 KCNA5 (0.50) KCNK3KCNK9MRGPRX1KCNA5
SCHEMBL10434954 0.84 KCNA5 (0.50) KCNK3KCNK9MRGPRX1KCNA5
SCHEMBL23014660 0.83 TSHR (0.51) CYP1A2CYP2C19SMN1; SMN2TSHRKDM4E
SCHEMBL11667006 0.82
SCHEMBL2212212 0.82 TSHR (0.58) SMN1; SMN2TSHRKDM4EPOLBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183394-A1 CATALYST FOR PROPYLENE POLYMERIZATION, CATALYST SYSTEM FOR PROPYLENE POLYMERIZATION, AND PREPARATION AND USE THEREOF PETROCHINA COMPANY LIMITED (CN) 2023-06-15 US claimed
CN-113621098-B Propylene polymerization catalyst, propylene polymerization catalyst system, preparation and application thereof 中国石油天然气股份有限公司 2022-11-04 CN claimed
CN-113621098-A Propylene polymerization catalyst, propylene polymerization catalyst system, preparation and application thereof 中国石油天然气股份有限公司 2021-11-09 CN claimed
US-20230183394-A1 CATALYST FOR PROPYLENE POLYMERIZATION, CATALYST SYSTEM FOR PROPYLENE POLYMERIZATION, AND PREPARATION AND USE THEREOF PETROCHINA COMPANY LIMITED (CN) 2023-06-15 US disclosed
CN-113621098-B Propylene polymerization catalyst, propylene polymerization catalyst system, preparation and application thereof 中国石油天然气股份有限公司 2022-11-04 CN disclosed
CN-113621098-A Propylene polymerization catalyst, propylene polymerization catalyst system, preparation and application thereof 中国石油天然气股份有限公司 2021-11-09 CN disclosed