SCHEMBL9682910

SCHEMBL9682910

CC(=O)C1OCCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.56
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 5/20 0.53
TSHR P16473 3/20 0.52
MAPK1 P28482 1/20 0.52
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.45
XBP1 P17861 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
BLM P54132 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL8901920 0.86 RAB9A (0.58) RAB9AALDH1A1KMT2ATSHRMAPK1
SCHEMBL31445349 0.84 RAB9A (0.57) RAB9AALDH1A1KMT2ATSHRMAPK1
SCHEMBL2720399 0.84 RAB9A (0.57) RAB9AALDH1A1KMT2ATSHRMAPK1
SCHEMBL16244206 0.84 RAB9A (0.57) RAB9AALDH1A1KMT2ATSHRMAPK1
SCHEMBL8970575 0.84 RAB9A (0.57) RAB9AALDH1A1KMT2ATSHRMAPK1
Hydrochloric Acid SCHEMBL11349059 0.83 RAB9A (0.56) RAB9AALDH1A1KMT2ATSHRMAPK1
SCHEMBL21688271 0.79 RAB9A (0.52) RAB9AALDH1A1KMT2ATSHRMAPK1
SCHEMBL15912427 0.78 RAB9A (0.48) RAB9AALDH1A1KMT2ATSHRMAPK1
SCHEMBL16141436 0.76 RAB9A (0.73) RAB9AALDH1A1KMT2ATSHRMAPK1
SCHEMBL7399518 0.76 ALDH1A1 (0.56) RAB9AALDH1A1KMT2ATSHRLMNA

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-5128369-A Antiallergens, bronchodilator agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-07-07 US disclosed
CN-1058781-A New heterocyclic anthracycline hydrocarbon homologue IAF BIOCHEM INT (CA) 1992-02-19 CN disclosed
EP-0404197-A2 Arylalkylamine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-12-27 EP disclosed