SCHEMBL6626602

SCHEMBL6626602

CC(C)(C)C1C(c2ccccc2)=C(c2ccccc2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
CDC25A P30304 1/20 0.32
CDC25B P30305 1/20 0.32
KCNA5 P22460 1/20 0.31
KCNH2 Q12809 1/20 0.31
GPR3 P46089 2/20 0.31
BRD4 O60885 1/20 0.30
P2RX7 Q99572 1/20 0.30
POLB P06746 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
SCHEMBL27916062 0.76 ALDH1A1 (0.35) HSP90AA1HSP90AB1MITFALDH1A1MAPT
SCHEMBL3922127 0.74 GPR3 (0.46) ALDH1A1GPR3POLB
SCHEMBL27363609 0.72 ALDH1A1 (0.39) HSP90AA1HSP90AB1ALDH1A1MAPTCHRNB2
SCHEMBL6629142 0.71 CDC25A (0.39) HSP90AA1HSP90AB1MITFALDH1A1MAPT
SCHEMBL232990 0.70 LMNA (0.41) ALDH1A1MAPTCHRNB2CHRNA4
SCHEMBL6633153 0.69 MEN1 (0.38) ALDH1A1MAPTPOLB
SCHEMBL24119346 0.67 MEN1 (0.44) ALDH1A1MAPTHTTNPSR1CDC25A
SCHEMBL6632251 0.66 MAPT (0.43) HSP90AA1HSP90AB1ALDH1A1MAPTNPSR1
SCHEMBL5837267 0.65 GPR3 (0.46) ALDH1A1GPR3POLB
SCHEMBL3664412 0.65 HTR2A (0.35) MITFALDH1A1MAPTHTTNPSR1

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
EP-1033130-B1 INHIBITOR OF UROKINASE PRODUCTION AND OF ANGIOGENESIS AND ITS THERAPEUTIC USE TAIHO PHARMACEUTICAL CO LTD (JP) 2004-04-21 EP disclosed
US-6365610-B1 1,4-EPOXY-2,3-BENZODIOXEPINS OR 1,4-EPOXY-3,2-BENZOXAZEPINES TAIHO PHARMACEUTICAL COMPANY LTD. (JP) 2002-04-02 US disclosed
EP-1033130-A1 UROKINASE PRODUCTION INHIBITORS, ANGIOGENESIS INHIBITORS AND METHODS OF PREVENTION OR TREATMENT WITH BOTH TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 2000-09-06 EP disclosed