SCHEMBL6522700

SCHEMBL6522700

c1ccc(C2=C(CC3=C(c4ccccc4)c4ccccc4C3)Cc3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ KDR P35968 1/20 0.41
▸ MAOA P21397 1/20 0.39
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ TDP2 O95551 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ CASP9 P55211 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ CASP8 Q14790 1/20 0.37
▸ MAP3K14 Q99558 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ CHRM2 P08172 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
SCHEMBL27837652 0.79 MTNR1A (0.41) MTNR1AMTNR1BKDRMAOAADORA2A
SCHEMBL132494 0.75 ESR2 (0.59) KDRMAOAADORA2AADORA1ESR1
SCHEMBL23738688 0.73 CYP2A6 (0.41) MTNR1AMTNR1BKDRMAOAADORA2A
SCHEMBL28338218 0.73 MAOA (0.40) MTNR1AMTNR1BKDRMAOAADORA2A
SCHEMBL15679182 0.73 MAPK1 (0.41) MTNR1AMTNR1BKDRMAOAADORA2A
SCHEMBL11546612 0.73 MAOA (0.40) MTNR1AMTNR1BKDRMAOAADORA2A
SCHEMBL6516873 0.71 MAOA (0.41) MAOATDP2CASP3CASP7CASP9
Fluorene SCHEMBL473154 0.71 MAOA (0.56) KDRMAOAADORA2AADORA1TDP2
SCHEMBL28907906 0.70 MAOA (0.62) MAOATDP2CASP3CASP7CASP9
SCHEMBL23955976 0.69 PTGS2 (0.42) MTNR1AMTNR1BKDRMAOAADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6872863-B2 Methylene bridged metallocenes as olefin-polymerization catalyst components BASELL POLYOLEFINE GMBH (DE) 2005-03-29 — — US disclosed
US-20040147695-A1 Methylene bridged metallocenes as olefin-polymerization catalyst components BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2004-07-29 — — US disclosed
US-6693156-B1 SIMPLY AND EFFICIENTLY SYNTHESIZED MATERIALS WITH VARIED SUBSTITUTION FOR TAILORED POLYMER PROPERTIES BASELL POLYOLEFINE GMBH (DE) 2004-02-17 — — US disclosed
EP-1131328-B1 METHYLENE BRIDGED METALLOCENES AS OLEFIN-POLYMERIZATION-CATALYST COMPONENTS BASELL POLYOLEFINE GMBH (DE) 2003-05-07 — — EP disclosed
EP-1131328-A1 METHYLENE BRIDGED METALLOCENES AS OLEFIN-POLYMERIZATION-CATALYST COMPONENTS Basell Technology Company B.V. (NL) 2001-09-12 — — EP disclosed
WO-2000029415-A1 METHYLENE BRIDGED METALLOCENES AS OLEFIN-POLYMERIZATION-CATALYST COMPONENTS BASELL TECHNOLOGY COMPANY B.V. (NL) 2000-05-25 — — WO disclosed
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