SCHEMBL7574291

SCHEMBL7574291

CCOC(=O)c1[nH]c(-c2ccc[nH]2)cc1OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
ALDH1A1 P00352 5/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 3/20 0.39
CDK2 P24941 1/20 0.39
KDM4E B2RXH2 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37

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
SCHEMBL7575243 0.84 ALDH1A1 (0.40) MAPTSMN1; SMN2TP53ALDH1A1GAA
SCHEMBL13922073 0.75 TUBB4A (0.43) MAPTSMN1; SMN2TP53ALDH1A1GAA
SCHEMBL7581044 0.75 CDK2 (0.42) MAPTALDH1A1GAACDK2KDM4E
SCHEMBL31238363 0.73 MAPT (0.48) MAPTALDH1A1GAACDK2KDM4E
SCHEMBL7572546 0.72 KDM4E (0.47) MAPTSMN1; SMN2TP53ALDH1A1GAA
SCHEMBL13922083 0.71 KDM4E (0.37) MAPTALDH1A1GAAHPGDKDM4E
SCHEMBL9908164 0.68 MEN1 (0.39) MAPTSMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL7561134 0.68 CA12 (0.59) MAPTSMN1; SMN2ALDH1A1KDM4ERAB9A
SCHEMBL428389 0.67 RAB9A (0.53) MAPTSMN1; SMN2ALDH1A1GAAHPGD
Hydrochloric Acid SCHEMBL29099350 0.66 RAB9A (0.51) MAPTSMN1; SMN2ALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686147-B1 NOVEL 2,2'-BI-1H-PYRROLE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY PHARMACIA ITALIA SPA (IT) 2002-09-25 EP disclosed
EP-1241162-A1 2,2'-bi-1H-pyrrole derivatives with immunosuppressant activity Pharmacia Italia S.p.A. (IT) 2002-09-18 EP disclosed
US-5691334-A IMMUNOMODULATORS FOR SKIN GRAFTS, AUTOIMMUNE AND FOR ORGAN TRANSPLANTS PHARMACIA & UPJOHN S.P.A. (IT) 1997-11-25 US disclosed
EP-0686147-A1 NOVEL 2,2'-BI-1H-PYRROLE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY PHARMACIA & UPJOHN S.p.A. (IT) 1995-12-13 EP disclosed
WO-1995017381-A1 NOVEL 2,2'-BI-1H-PYRROLE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY PHARMACIA S.P.A. (IT) 1995-06-29 WO disclosed