SCHEMBL30765890

SCHEMBL30765890

C[C@@H](N[S@+]([O-])C(C)(C)C)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.40
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
PRCP P42785 2/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GRIA4 P48058 1/20 0.36
LMNA P02545 1/20 0.35
USP2 O75604 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
CYP17A1 P05093 1/20 0.34

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
SCHEMBL30765707 1.00 PTGS2 (0.40) PTGS2MAPTALDH1A1HPGDPRCP
SCHEMBL28673711 1.00 PTGS2 (0.40) PTGS2MAPTALDH1A1HPGDPRCP
SCHEMBL29472427 1.00 PTGS2 (0.40) PTGS2MAPTALDH1A1HPGDPRCP
SCHEMBL28673712 1.00 PTGS2 (0.40) PTGS2MAPTALDH1A1HPGDPRCP
SCHEMBL24003499 0.90 CHRM2 (0.39) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL30238788 0.90 CHRM2 (0.39) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL12710431 0.90 CHRM2 (0.39) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL19421494 0.90 CHRM2 (0.39) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL22279427 0.84 MAPT (0.38) PTGS2MAPTALDH1A1HPGDPRCP
SCHEMBL22158879 0.83 ACACB (0.47) ALDH1A1HPGDACACBACACAMEN1

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
EP-4568666-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Alexion Pharmaceuticals, Inc. (US) 2025-06-18 EP disclosed
CN-119768164-A Pharmaceutical compounds for treating complement-mediated disorders 阿雷克森制药公司 2025-04-04 CN disclosed
WO-2024035686-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-15 WO disclosed