SCHEMBL9307448

SCHEMBL9307448

CCCCC(CC)CCCCCCCCCCCCC(N)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.58
CYP3A4 P08684 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
TSHR P16473 2/20 0.53
ATM Q13315 1/20 0.53
SOAT1 P35610 2/20 0.50
MEN1 O00255 2/20 0.50
TP53 P04637 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
KMT2A Q03164 2/20 0.50
FAAH O00519 1/20 0.50
CA1 P00915 1/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.46
FFAR4 Q5NUL3 1/20 0.44
FFAR1 O14842 1/20 0.44
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL13127898 1.00 CA2 (0.58) CA2CYP3A4TDP1TSHRATM
SCHEMBL11663150 1.00 CA2 (0.58) CA2CYP3A4TDP1TSHRATM
SCHEMBL14836357 0.98 CA2 (0.60) CA2CYP3A4TDP1TSHRATM
SCHEMBL28776256 0.96 SOAT1 (0.55) CA2CYP3A4TDP1TSHRATM
SCHEMBL11080985 0.92 SOAT1 (0.53) CA2CYP3A4TDP1TSHRATM
SCHEMBL8515069 0.92 CA2 (0.62) CA2CYP3A4TDP1TSHRATM
SCHEMBL26218280 0.90 CA2 (0.56) CA2CYP3A4TDP1TSHRATM
SCHEMBL1325935 0.90 CA2 (0.66) CA2CYP3A4TDP1TSHRATM
SCHEMBL1325938 0.90 CA2 (0.66) CA2CYP3A4TDP1TSHRATM
SCHEMBL10762027 0.90 CYP3A4 (0.45) CA2CYP3A4TDP1TSHRATM

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-20200131335-A1 SURFACE ACTIVE ADJUVANT RHODIA OPERATIONS (FR) 2020-04-30 US disclosed
EP-3612604-A1 SURFACE ACTIVE ADJUVANT Rhodia Operations (FR) 2020-02-26 EP disclosed
WO-2020035124-A1 SURFACE ACTIVE ADJUVANT FOR COATINGS RHODIA OPERATIONS (FR) 2020-02-20 WO disclosed
WO-2018193009-A1 SURFACE ACTIVE ADJUVANT RHODIA OPERATIONS (FR) 2018-10-25 WO disclosed
US-5328884-A Salicylic acid salt,and amide or sulfonamide as developer KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1994-07-12 US disclosed
US-5250108-A Mixture of salicylic acid salt, amide and sulfonamide compounds KANZAKI PAPER MANUFACTURING CO. LTD. (JP) 1993-10-05 US disclosed