SCHEMBL17088981

SCHEMBL17088981

CCCC[N+]1=C(/C=C/C=C/C=C2\N(CCCS(=O)(=O)O)c3ccc(C)cc3C2(C)CCCCCC(=O)ON2C(=O)CCC2=O)C(C)(C)c2cc(C)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.46
▸ HTR1A P08908 2/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ PARP1 P09874 1/20 0.45
▸ BRD4 O60885 1/20 0.45
▸ HRH3 Q9Y5N1 2/20 0.44
▸ ABL1 P00519 1/20 0.42
▸ NAMPT P43490 1/20 0.41
▸ ADORA2A P29274 2/20 0.41
▸ SLC16A3 O15427 1/20 0.40
▸ HRH2 P25021 3/20 0.40
▸ CHRM1 P11229 2/20 0.40
▸ CHRM3 P20309 2/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ MLNR O43193 1/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ DRD2 P14416 1/20 0.40

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
SCHEMBL17322726 0.97 ADRB2 (0.51) ADRB2HTR1APTPN1PARP1BRD4
SCHEMBL15298605 0.97 ADRB2 (0.51) ADRB2HTR1APTPN1PARP1BRD4
SCHEMBL16671983 0.94 ADRB2 (0.53) ADRB2HTR1APTPN1PARP1BRD4
SCHEMBL11302387 0.91 ADRB2 (0.46) ADRB2HTR1APTPN1PARP1BRD4
SCHEMBL13991453 0.89 ADRB2 (0.52) ADRB2HTR1APTPN1PARP1BRD4
SCHEMBL15271642 0.88 ADRB2 (0.55) ADRB2HTR1APTPN1PARP1BRD4
SCHEMBL15271648 0.88 ADRB2 (0.55) ADRB2HTR1APTPN1PARP1BRD4
SCHEMBL15271632 0.88 ADRB2 (0.55) ADRB2HTR1APTPN1PARP1BRD4
SCHEMBL18020661 0.88 ADRB2 (0.45) ADRB2HTR1APTPN1PARP1BRD4
SCHEMBL31551164 0.88 ADRB2 (0.58) ADRB2HTR1APTPN1PARP1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9140706-B2 Labeling reagents and methods of their use Life Technologies Corporation (US) 2015-09-22 — — US disclosed
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