SCHEMBL9744897

SCHEMBL9744897

CC1Nc2ccccc2C(=O)C1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 4/20 0.41
BRPF1 P55201 1/20 0.41
LMNA P02545 3/20 0.39
TSHR P16473 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HTT P42858 2/20 0.38
TGM2 P21980 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDO1 P14902 1/20 0.38
BRD4 O60885 4/20 0.38
GAA P10253 1/20 0.38
EP300 Q09472 1/20 0.38
ALOX15 P16050 1/20 0.37
HBB P68871 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 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
SCHEMBL6466780 0.76 LMNA (0.36) LMNATSHRTNKS2MAPTALDH1A1
SCHEMBL16163145 0.74 LMNA (0.43) LMNATSHRTNKS2MAPTALDH1A1
SCHEMBL27513787 0.71 EDNRB (0.44) LMNAMAPTALDH1A1HTTALOX15
SCHEMBL13847518 0.71 CREBBP (0.55) CREBBPBRPF1LMNATSHRTNKS2
SCHEMBL6684295 0.70 MAPT (0.46) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL13603804 0.68 EDNRB (0.48) LMNAMAPTALDH1A1HTTALOX15
SCHEMBL3030100 0.68 MAOA (0.42) LMNATSHRTNKS2MAPTALDH1A1
SCHEMBL10411385 0.68 HTT (0.36) CREBBPLMNATSHRMAPTALDH1A1
SCHEMBL31739367 0.67 TSHR (0.47) LMNATSHRTNKS2ALDH1A1SMN1; SMN2
SCHEMBL19492450 0.67 TSHR (0.47) LMNATSHRTNKS2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0494978-A1 HETEROCYCLIC COMPOUNDS. WYETH JOHN & BROTHER LTD (GB) 1992-07-22 EP disclosed
WO-1991005783-A1 HETEROCYCLIC COMPOUNDS JOHN WYETH & BROTHER LIMITED (GB) 1991-05-02 WO disclosed