SCHEMBL31318536

SCHEMBL31318536

COc1c(Cl)cc(C(=O)N2CC3(CC3)Oc3ccc(C(F)(F)F)cc32)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.37
CYP2C9 P11712 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
EPHX2 P34913 2/20 0.36
EPHX1 P07099 1/20 0.34
ALDH1A1 P00352 4/20 0.34
USP2 O75604 3/20 0.34
TSHR P16473 3/20 0.34
HCRTR2 O43614 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 3/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CYP2D6 P10635 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL31318507 0.88 TUBB4A (0.37) CYP3A4CYP2C9CYP1A2CYP2C19EPHX2
SCHEMBL31318547 0.88 SLC22A12 (0.39) CYP2C9EPHX2EPHX1HCRTR2MRGPRX4
SCHEMBL31318517 0.83 SIRT3 (0.41) CYP2C9ALDH1A1TSHRLMNAHTT
SCHEMBL31318501 0.80 SLC22A12 (0.41) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL31318508 0.80 SLC22A12 (0.40) CYP3A4CYP2C9EPHX2EPHX1USP2
SCHEMBL31318491 0.79 TUBB4A (0.43) ALDH1A1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL31318564 0.78 ALDH1A1 (0.35) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL31318535 0.76 SLC22A12 (0.38) MEN1KMT2A
SCHEMBL31318520 0.76 MEN1 (0.36) CYP3A4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL10323544 0.74 HSD17B3 (0.45) CYP3A4CYP2C9CYP1A2CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119059989-A URAT1 inhibitor, preparation method and application thereof 中国药科大学 2024-12-03 CN disclosed