SCHEMBL10994115

SCHEMBL10994115

COc1cc(N2CCCCC2)c(Cl)cc1CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
S1PR1 P21453 2/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 3/20 0.41
GFER P55789 2/20 0.41
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTR3A P46098 1/20 0.38
HTR4 Q13639 1/20 0.38

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
SCHEMBL10984615 0.88 S1PR1 (0.43) S1PR1KMT2AMEN1MAPTALDH1A1
SCHEMBL11065996 0.87 MAPK1 (0.46) HSD17B10KMT2AMEN1MAPTALDH1A1
SCHEMBL10984618 0.87 S1PR1 (0.42) HSD17B10S1PR1KMT2AMEN1MAPT
SCHEMBL10982953 0.81 HTR2A (0.41) HSD17B10S1PR1KMT2AMEN1MAPT
SCHEMBL10987800 0.81 KDM4E (0.41) HSD17B10KMT2AMEN1MAPTALDH1A1
SCHEMBL11042493 0.80 S1PR1 (0.41) S1PR1KMT2AMEN1MAPTALDH1A1
SCHEMBL10986476 0.77 S1PR1 (0.48) S1PR1KMT2AMEN1MAPTALDH1A1
SCHEMBL3326963 0.77 HSD17B10 (0.56) HSD17B10MAPTALDH1A1GAAKDM4E
SCHEMBL11064928 0.76 MAPK1 (0.45) HSD17B10KMT2AMEN1MAPTALDH1A1
SCHEMBL11064926 0.74 LMNA (0.44) HSD17B10KMT2AMEN1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4558043-A Heterocyclicamino containing benzofurans and 2,3-dihydrobenzofurans, compositions and use CIBA GEIGY CORPORATION (US) 1985-12-10 US disclosed
US-4451462-A Method of treating inflammation and pain using heteramino benzofurans CIBA-GEIGY CORPORATION (US) 1984-05-29 US disclosed
EP-0107620-A1 Phenol derivatives CIBA-GEIGY AG (CH) 1984-05-02 EP disclosed
EP-0106800-A1 Furans CIBA-GEIGY AG (CH) 1984-04-25 EP disclosed
US-4426380-A ANTIINFLAMMATORY, ANALGESIC, SUNSCREEN CIBA-GEIGY CORPORATION (US) 1984-01-17 US disclosed
EP-0082109-A2 Substituted 2-hydroxyphenylacetic acids and derivatives of them CIBA-GEIGY AG (CH) 1983-06-22 EP disclosed
EP-0078241-A2 Furanes CIBA-GEIGY AG (CH) 1983-05-04 EP disclosed