SCHEMBL9488274

SCHEMBL9488274

O=[N+]([O-])c1cc(CCO)ccc1CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
SNCA P37840 2/20 0.44
POLB P06746 1/20 0.43
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.40
ALOX5 P09917 1/20 0.40
GAA P10253 1/20 0.40
BACE1 P56817 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDK1 Q15118 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 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
Methane SCHEMBL21550186 0.91 TSHR (0.55) TSHRSNCAPOLBCYP1A2ALDH1A1
SCHEMBL1589851 0.87 ALDH1A1 (0.51) TSHRSNCAPOLBCYP1A2ALDH1A1
SCHEMBL31612277 0.87 ALDH1A1 (0.51) TSHRSNCAPOLBCYP1A2ALDH1A1
SCHEMBL10608137 0.84 TSHR (0.58) TSHRSNCAPOLBALDH1A1MAPT
SCHEMBL5983177 0.83 TSHR (0.46) TSHRSNCAPOLBCYP1A2ALDH1A1
SCHEMBL16147602 0.83 TSHR (0.49) TSHRSNCAPOLBCYP1A2ALDH1A1
SCHEMBL3890238 0.81 POLB (0.49) TSHRSNCAPOLBCYP1A2ALDH1A1
SCHEMBL1437048 0.81 TSHR (0.47) TSHRSNCAPOLBCYP1A2ALDH1A1
Ammonia Solution, Strong SCHEMBL5983186 0.81 TSHR (0.47) TSHRSNCAPOLBCYP1A2ALDH1A1
SCHEMBL6812707 0.81 POLB (0.63) TSHRSNCAPOLBALDH1A1MAPT

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
US-5198520-A Photoresists KABUSHIKI KAISHA TOSHIBA (JP) 1993-03-30 US disclosed
US-5017453-A Integrated circuits KABUSHIKI KAISHA TOSHIBA (JP) 1991-05-21 US disclosed
US-4822716-A FINE PATTERN SEMICONDUCTOR, INTEGRATED CIRCUIT KABUSHIKI KAISHA TOSHIBA (JP) 1989-04-18 US disclosed