SCHEMBL9367472

SCHEMBL9367472

O=C(COc1cccnc1)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.59
CYP19A1 P11511 1/20 0.58
PTPN1 P18031 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
THRB P10828 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MAOB P27338 1/20 0.56
GPR132 Q9UNW8 11/20 0.56
CMKLR2 P46091 1/20 0.56
CMKLR1 Q99788 1/20 0.56
SMPD1 P17405 2/20 0.55

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
SCHEMBL9369856 0.84 GPR132 (0.59) NR4A2CYP19A1PTPN1ALDH1A1LMNA
SCHEMBL2394585 0.84 PLOD2 (0.58) ALDH1A1LMNASMN1; SMN2
SCHEMBL9366769 0.81 MAOB (0.68) NR4A2PTPN1ALDH1A1LMNASMN1; SMN2
SCHEMBL18906070 0.81 MRGPRX4 (0.67) NR4A2SMN1; SMN2
SCHEMBL18906065 0.81 NR4A2 (0.71) NR4A2GPR132CMKLR2CMKLR1
SCHEMBL2785216 0.80 NR4A2 (0.70) NR4A2CYP19A1PTPN1ALDH1A1MAOB
Acetic Acid SCHEMBL27351298 0.80 KMT2A (0.58) ALDH1A1LMNATHRBSMN1; SMN2MAOB
SCHEMBL9366574 0.80 LRRK2 (0.56) ALDH1A1LMNATHRBSMN1; SMN2MAOB
SCHEMBL30150593 0.80 RAB9A (0.62) ALDH1A1
SCHEMBL1323646 0.80 RAB9A (0.62) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0391624-B1 Substituted 1-[3-heteroarylmethoxy)phenyl] alkanols and related compounds in the treatment of asthma, arthritis and related diseases PFIZER (US) 1994-04-06 EP disclosed
US-5248685-A Substituted 1-[3-(heteroarylmethoxy)phenyl]alkanols and related compounds in the treatment of asthma PFIZER INC. (US) 1993-09-28 US disclosed
WO-1990012006-A1 SUBSTITUTED 1-[3-(HETEROARYLMETHOXY)PHENYL]ALKANOLS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA, ARTHRITIS AND RELATED DISEASES PFIZER INC. (US) 1990-10-18 WO disclosed
EP-0391624-A1 Substituted 1-[3-heteroarylmethoxy)phenyl] alkanols and related compounds in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1990-10-10 EP disclosed