SCHEMBL9634121

SCHEMBL9634121

c1ccc(COCC2c3ccccc3Oc3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
LMNA P02545 3/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
KCNA3 P22001 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
P2RX1 P51575 1/20 0.39
P2RX3 P56373 1/20 0.39
P2RX4 Q99571 1/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
CYP2C9 P11712 1/20 0.37
GRM8 O00222 1/20 0.36
GRM7 Q14831 1/20 0.36
GRM4 Q14833 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 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
SCHEMBL9632915 0.82 HTR2A (0.41) TSHRLMNATAAR1
SCHEMBL9632441 0.80 TSHR (0.52) TSHRLMNATAAR1KMT2ABCHE
SCHEMBL13447415 0.79 KMT2A (0.47) TSHRLMNAMAOAMAOBKCNA3
SCHEMBL9754077 0.76 HTR2A (0.53) TSHR
SCHEMBL79265 0.76 MAOA (0.48) TSHRLMNAMAOAMAOBKCNA3
SCHEMBL8212450 0.74 L3MBTL1 (0.48) TSHRLMNAMAOAMAOBKCNA3
SCHEMBL9633542 0.73 MGLL (0.51) LMNAKMT2ACYP2C9
SCHEMBL10978067 0.73 TSHR (0.52) TSHRLMNATAAR1BCHEACHE
SCHEMBL10978073 0.73 TSHR (0.52) TSHRLMNATAAR1BCHEACHE
SCHEMBL10980854 0.73 TSHR (0.52) TSHRLMNATAAR1BCHEACHE

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-5101059-A Xanthene compounds RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-03-31 US claimed
WO-1991008190-A1 AMINO ACID PROTECTING GROUPS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-06-13 WO claimed