SCHEMBL9448294

SCHEMBL9448294

COc1ccc(C)c2c1CCCC2=O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 3/20 0.62
HPGD P15428 2/20 0.62
GLA P06280 1/20 0.62
GAA P10253 1/20 0.62
MAPT P10636 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
BRD4 O60885 5/20 0.50
ADRA1A P35348 2/20 0.44
LMNA P02545 2/20 0.43
POLL Q9UGP5 1/20 0.42
ACHE P22303 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL2722930 0.91 KDM4E (0.76) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL31597571 0.89 KDM4E (0.79) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL1274261 0.89 KDM4E (0.79) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL9041741 0.86 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDGLAGAA
Hydrochloric Acid SCHEMBL9404913 0.85 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL7410003 0.83 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL7097628 0.83 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL10835300 0.83 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL16556084 0.83 KDM4E (0.61) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL29396153 0.81 BRD4 (0.47) ALDH1A1KDM4EHPGDMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5248677-A Nervous system disorders or antidepressants ABBOTT LABORATORIES (US) 1993-09-28 US disclosed
EP-0325963-B1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES AND -INDANES ABBOTT LABORATORIES (US) 1993-09-22 EP disclosed
US-5180733-A Antidepressants or nervous systen disorders ABBOTT LABORATORIES (US) 1993-01-19 US disclosed
US-5140040-A Alpha-2-adrenergic receptor antagonist; glaucoma; congestive heart failure; hypotensive agents; headaches; metabolic disorders (diabetes, obesity) ABBOTT LABORATORIES (US) 1992-08-18 US disclosed
US-5128362-A Antidepressant, antiglaucoma ABBOTT LABORATORIES (US) 1992-07-07 US disclosed
EP-0461353-A1 Biogenic amine uptake inhibitors ABBOTT LABORATORIES (US) 1991-12-18 EP disclosed
EP-0395734-A4 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES 1991-01-02 EP disclosed
EP-0395734-A1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES ABBOTT LABORATORIES (US) 1990-11-07 EP disclosed
EP-0325963-A1 1-Aminomethyl-1,2,3,4-tetrahydronaphthalenes and -indanes ABBOTT LABORATORIES (US) 1989-08-02 EP disclosed
WO-1989006645-A1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES ABBOTT LABORATORIES (US) 1989-07-27 WO disclosed