SCHEMBL4049993

SCHEMBL4049993

CCC(O)COc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CASR P41180 1/20 0.45
CACNA1G O43497 2/20 0.45
KCNH2 Q12809 1/20 0.45
ABCB1 P08183 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LTA4H P09960 1/20 0.43

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
SCHEMBL10700083 0.94 TSHR (0.55) TSHRNPC1MAPTLMNAPOLB
SCHEMBL4041294 0.88 POLB (0.42) TSHRNPC1MAPTLMNAPOLB
SCHEMBL29620677 0.87 MAPT (0.57) TSHRMAPTLMNAPOLBNPSR1
SCHEMBL9835510 0.86 AR (0.49) TSHRNPC1MAPTLMNAPOLB
SCHEMBL13527950 0.86 LTA4H (0.61) MAPTLMNAPOLBNPSR1MEN1
SCHEMBL1496637 0.86 LTA4H (0.58) MAPTLMNAPOLBSMN1; SMN2LTA4H
SCHEMBL21393252 0.86 POLB (0.53) TSHRMAPTPOLBMEN1KMT2A
SCHEMBL4042859 0.84 USP2 (0.50) TSHRLMNACACNA1GLTA4H
SCHEMBL4045199 0.84 LMNA (0.58) TSHRNPC1MAPTLMNAMEN1
SCHEMBL4045628 0.82 PARP10 (0.48) MAPTLMNAPOLBNPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1380342-B1 COMPLEX CATALYST, PROCESS FOR PRODUCING THE COMPLEX CATALYST, AND PROCESS FOR PRODUCING ALCOHOL DERIVATIVE WITH THE COMPLEX CATALYST SUMITOMO CHEMICAL CO (JP) 2009-07-01 EP disclosed
US-6995110-B2 Complex catalyst, process for producing the complex catalyst, and process for producing alcohol derivative with the complex catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-02-07 US disclosed
US-20040077487-A1 Complex catalyst, process for producing the complex catalyst, and process for producing alchohol derivative with the complex catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed
EP-1380342-A1 COMPLEX CATALYST, PROCESS FOR PRODUCING THE COMPLEX CATALYST, AND PROCESS FOR PRODUCING ALCOHOL DERIVATIVE WITH THE COMPLEX CATALYST SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-01-14 EP disclosed