SCHEMBL11833693

SCHEMBL11833693

COc1cc(Br)c(C(=O)NC(C)(C)CO)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
APAF1 O14727 1/20 0.39

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
SCHEMBL2360957 0.84 LCK (0.59) LCKFYNMTNR1AMTNR1BALDH1A1
SCHEMBL11833701 0.80 HPGD (0.55) CNR1CNR2TSHRCYP1A2CYP2C9
SCHEMBL6256749 0.80 ALDH1A1 (0.58) HSD17B10ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL12682412 0.78 LCK (0.62) LCKFYNTSHRHSD17B10ALDH1A1
SCHEMBL1933162 0.77 RAB9A (0.53) CNR1CNR2ALDH1A1CYP1A2CYP2C9
SCHEMBL24353844 0.77 POLB (0.44) MTNR1AMTNR1BCNR1CNR2RAB9A
SCHEMBL17602018 0.76 LCK (0.65) LCKFYNTSHRHSD17B10ALDH1A1
SCHEMBL8434080 0.76 CTSD (0.61) TSHRHSD17B10RAB9AMEN1MAPT
SCHEMBL2332823 0.75 LCK (0.59) LCKFYNTSHRHSD17B10ALDH1A1
SCHEMBL15651310 0.75 KDM4E (0.40) CNR1CNR2ALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3985889-A 1,3-DIHYDROSPIRO(ISOBENZOFURAN); ANALGETIC AGENTS AMERICAN HOECHST CORPORATION (US) 1976-10-12 US disclosed
US-3962259-A TRANQUILIZERS, ANALGETIC AGENTS AMERICAN HOECHST CORPORATION (US) 1976-06-08 US disclosed