Sugi Predict

Sugi Predict / Compounds / P-Anisic Acid

P-Anisic Acid

P-Anisic Acid

SCHEMBL3660840

COc1ccc(C(=O)O)cc1.COc1ccc(C(=O)c2ccccc2C(=O)O)cc1

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.67
▸ CA2 P00918 1/20 0.67
▸ KMT2A Q03164 1/20 0.64
▸ AKR1C3 P42330 3/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ ALDH1A1 P00352 4/20 0.60
▸ CDC25B P30305 2/20 0.59
▸ ATM Q13315 1/20 0.59
▸ NR4A1 P22736 1/20 0.57
▸ USP2 O75604 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ CES2 O00748 1/20 0.56
▸ CES1 P23141 1/20 0.56
▸ CDC25A P30304 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ SRD5A2 P31213 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54

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
SCHEMBL238088 0.97 KMT2A (0.68) CA1CA2KMT2AAKR1C3SMN1; SMN2
SCHEMBL1375270 0.97 KMT2A (0.68) CA1CA2KMT2AAKR1C3SMN1; SMN2
SCHEMBL1614614 0.86 AKR1C3 (0.83) CA1CA2AKR1C3ALDH1A1CDC25B
SCHEMBL30873149 0.86 AKR1C3 (0.83) CA1CA2AKR1C3ALDH1A1CDC25B
SCHEMBL2129171 0.84 CA1 (0.87) CA1CA2KMT2ASMN1; SMN2ALDH1A1
Water SCHEMBL30011179 0.84 AKR1C3 (0.79) CA1CA2AKR1C3ALDH1A1CDC25B
P-Anisic Acid SCHEMBL27338972 0.84 CA1 (0.95) CA1CA2SMN1; SMN2ALDH1A1CES2
SCHEMBL11371286 0.83 ALDH1A1 (0.53) KMT2AAKR1C3SMN1; SMN2ALDH1A1CDC25B
SCHEMBL747849 0.83 KMT2A (0.68) CA1CA2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7560635 0.83 KDM4E (0.66) KMT2AAKR1C3SMN1; SMN2ALDH1A1CDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217259-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS National Jewish Health (US) 2010-08-18 — — EP disclosed
WO-2009052411-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2009-04-23 — — WO disclosed
EP-1954681-A2 COMPOUNDS AND METHODS FOR THIOL-CONTAINING COMPOUND EFFLUX AND CANCER TREATMENT National Jewish Medical and Research Center (US) 2008-08-13 — — EP disclosed
EP-1931345-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS National Jewish Medical and Research Center (US) 2008-06-18 — — EP disclosed
WO-2007073518-A9 COMPOUNDS AND METHODS FOR THIOL-CONTAINING COMPOUND EFFLUX AND CANCER TREATMENT NAT JEWISH MED & RES CENTER (US) 2007-08-23 — — WO disclosed
WO-2007073518-A2 COMPOUNDS AND METHODS FOR THIOL-CONTAINING COMPOUND EFFLUX AND CANCER TREATMENT NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2007-06-28 — — WO disclosed
WO-2007024741-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2007-03-01 — — WO disclosed
EP-1562563-A4 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS NAT JEWISH MED & RES CENTER (US) 2005-12-28 — — EP disclosed
EP-1562563-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS National Jewish Medical and Research Center (US) 2005-08-17 — — EP disclosed
WO-2004042020-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2004-05-21 — — WO disclosed