SCHEMBL9630614

SCHEMBL9630614

Cc1sc(-c2ccc(C(=O)O)cc2)nc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.72
MEN1 O00255 1/20 0.72
ALDH1A1 P00352 1/20 0.72
LMNA P02545 1/20 0.72
GAA P10253 1/20 0.72
MAPT P10636 1/20 0.72
KMT2A Q03164 1/20 0.72
RARA P10276 1/20 0.68
RARB P10826 1/20 0.68
RARG P13631 1/20 0.68

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
SCHEMBL9629582 0.88 KDM4E (0.70) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL4186122 0.84 KDM4E (1.00) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL9629266 0.82 ALOX5 (0.63)
SCHEMBL9630548 0.82 ALOX5 (0.62)
SCHEMBL9629237 0.82 ALOX5 (0.62) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL9628669 0.82 MAPT (0.74) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL15349239 0.81 RARB (0.61) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL9629483 0.79 ALOX5 (0.58) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL9628607 0.79 KDM4E (0.58) KDM4EMEN1ALDH1A1LMNAGAA
SCHEMBL9629280 0.79 MAPT (0.58) KDM4EMEN1ALDH1A1LMNAGAA

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
US-5124342-A Antiinflammatory, antiarthritic agents; antiallergens; skin disorders ABBOTT LABORATORIES (US) 1992-06-23 US disclosed
EP-0457803-A4 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS 1991-12-04 EP disclosed
EP-0457803-A1 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS ABBOTT LABORATORIES (US) 1991-11-27 EP disclosed
WO-1990009801-A1 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS ABBOTT LABORATORIES (US) 1990-09-07 WO disclosed
WO-1990009381-A1 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS ABBOTT LABORATORIES (US) 1990-08-23 WO disclosed