SCHEMBL5318404

SCHEMBL5318404

CCCNC(Oc1ccc(CCOCC2CC2)cc1)C(O)CO

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ADRB2 P07550 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ TMEM97 Q5BJF2 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ CASR P41180 2/20 0.36

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
SCHEMBL875694 0.76 ADRB1 (0.58) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL6833323 0.74 ADRB1 (0.69) ADRB1LMNACYP2D6MEN1CYP1A2
Hydrochloric Acid SCHEMBL7930799 0.73 LMNA (0.63) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL9579153 0.72 ADRB1 (0.72) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL7289414 0.71 ADRB1 (0.60) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL5712379 0.70 ADRB2 (0.49) ADRB1CYP2D6ADRB2SIGMAR1
SCHEMBL11321065 0.69 ADRB1 (0.46) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL13953857 0.69 LMNA (0.57) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL17510375 0.69 ADRB1 (0.67) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL1422064 0.68 ADRB1 (0.49) ADRB1LMNACYP2D6MEN1CYP1A2

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
WO-2007087367-A9 METHODS AND COMPOSITIONS FOR MODULATING THE MOBILIZATION OF STEM CELLS SINAI SCHOOL MEDICINE (US) 2007-09-13 — — WO disclosed
WO-2007087367-A2 METHODS AND COMPOSITIONS FOR MODULATING THE MOBILIZATION OF STEM CELLS MOUNT SINAI SCHOOL OF MEDICINE (US) 2007-08-02 — — WO disclosed
WO-2004058170-A2 METHODS FOR TREATING MALARIA BY MODULATION OF G PROTEIN FUNCTION NORTHWESTERN UNIVERSITY (US) 2004-07-15 — — WO disclosed
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