SCHEMBL6801988

SCHEMBL6801988

CCN(C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
ALDH1A1 P00352 7/20 0.58
HPGD P15428 6/20 0.58
KDM4E B2RXH2 6/20 0.58
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 4/20 0.52
MCHR1 Q99705 3/20 0.51
TP53 P04637 2/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
THRB P10828 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL5702218 0.82 RNF4 (0.51) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL15984777 0.82 SMN1; SMN2 (0.62) TSHRALDH1A1HPGDKDM4EKMT2A
SCHEMBL5454456 0.81 HTT (0.51) TSHRALDH1A1HPGDKDM4EMEN1
SCHEMBL14577947 0.81 TSHR (0.49) TSHRALDH1A1HPGDKDM4EMEN1
SCHEMBL11875667 0.81 SMN1; SMN2 (0.47) TSHRALDH1A1HPGDKDM4EMEN1
SCHEMBL11214776 0.80 CES2 (0.55) TSHRHPGDKDM4ELMNACES2
SCHEMBL1844719 0.80 OPRM1 (0.67) TSHRALDH1A1HPGDKDM4EMEN1
SCHEMBL6801166 0.80 ESR1 (0.58) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL6800782 0.80 STS (0.56)
SCHEMBL1926257 0.80 TRPM8 (0.64) TSHRALDH1A1HPGDKDM4EMEN1

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-6762205-B1 STEROID SULFATASE INHIBITORS WITHOUT ESTROGENIC SIDE EFFECT ACTION TEIKOKU HORMONE MFG. CO., LTD. (JP) 2004-07-13 US disclosed
EP-1193250-A1 PHENYL SULFAMATE DERIVATIVES Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-04-03 EP disclosed