SCHEMBL9715541

SCHEMBL9715541

Cc1cc2c(c3c1C(C(=O)O)CCC3)OCO2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.39
ADRA2A P08913 4/20 0.33
ADRA2B P18089 4/20 0.33
ADRA2C P18825 4/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 1/20 0.31
RECQL P46063 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 2/20 0.30
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL9325484 0.76 ADRA2A (0.47) SIRT1ADRA2AADRA2BADRA2CMTNR1A
SCHEMBL7880454 0.68 ADRA2A (0.41) ADRA2AADRA2BADRA2CMTNR1AMTNR1B
SCHEMBL9715417 0.65 CYP1A2 (0.36) KDM4EALDH1A1SMN1; SMN2NPSR1HPGD
SCHEMBL9520939 0.65 KDM4E (0.39) SIRT1ADRA2AADRA2BADRA2CMTNR1A
SCHEMBL12553115 0.63 NQO2 (0.40) KDM4EALDH1A1NPSR1KMT2AMAPT
SCHEMBL10750262 0.63 SIRT1 (0.39) SIRT1KDM4EALDH1A1NPSR1KMT2A
SCHEMBL26581069 0.62 ALDH1A1 (0.53) KDM4EALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL9814122 0.62 KCNH2 (0.39) SIRT1ADRA2AADRA2BADRA2CMTNR1A
SCHEMBL3900421 0.62 TAS1R3 (0.45) SIRT1ALDH1A1USP2
SCHEMBL11524271 0.61 SIRT1 (0.43) SIRT1KDM4EALDH1A1SMN1; SMN2NPSR1

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-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
US-5086074-A Selective adrenergic receptor antagonists ABBOTT LABORATORIES (US) 1992-02-04 US disclosed